Details of the Target

General Information of Target

Target ID LDTP04243
Target Name Fatty acid synthase (FASN)
Gene Name FASN
Gene ID 2194
Synonyms
FAS; Fatty acid synthase; EC 2.3.1.85; Type I fatty acid synthase) [Includes: [Acyl-carrier-protein] S-acetyltransferase; EC 2.3.1.38; [Acyl-carrier-protein] S-malonyltransferase; EC 2.3.1.39; 3-oxoacyl-[acyl-carrier-protein] synthase; EC 2.3.1.41; 3-oxoacyl-[acyl-carrier-protein] reductase; EC 1.1.1.100; 3-hydroxyacyl-[acyl-carrier-protein] dehydratase; EC 4.2.1.59; Enoyl-[acyl-carrier-protein] reductase; EC 1.3.1.39; Acyl-[acyl-carrier-protein] hydrolase; EC 3.1.2.14)]
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MEEVVIAGMSGKLPESENLQEFWDNLIGGVDMVTDDDRRWKAGLYGLPRRSGKLKDLSRF
DASFFGVHPKQAHTMDPQLRLLLEVTYEAIVDGGINPDSLRGTHTGVWVGVSGSETSEAL
SRDPETLVGYSMVGCQRAMMANRLSFFFDFRGPSIALDTACSSSLMALQNAYQAIHSGQC
PAAIVGGINVLLKPNTSVQFLRLGMLSPEGTCKAFDTAGNGYCRSEGVVAVLLTKKSLAR
RVYATILNAGTNTDGFKEQGVTFPSGDIQEQLIRSLYQSAGVAPESFEYIEAHGTGTKVG
DPQELNGITRALCATRQEPLLIGSTKSNMGHPEPASGLAALAKVLLSLEHGLWAPNLHFH
SPNPEIPALLDGRLQVVDQPLPVRGGNVGINSFGFGGSNVHIILRPNTQPPPAPAPHATL
PRLLRASGRTPEAVQKLLEQGLRHSQDLAFLSMLNDIAAVPATAMPFRGYAVLGGERGGP
EVQQVPAGERPLWFICSGMGTQWRGMGLSLMRLDRFRDSILRSDEAVKPFGLKVSQLLLS
TDESTFDDIVHSFVSLTAIQIGLIDLLSCMGLRPDGIVGHSLGEVACGYADGCLSQEEAV
LAAYWRGQCIKEAHLPPGAMAAVGLSWEECKQRCPPGVVPACHNSKDTVTISGPQAPVFE
FVEQLRKEGVFAKEVRTGGMAFHSYFMEAIAPPLLQELKKVIREPKPRSARWLSTSIPEA
QWHSSLARTSSAEYNVNNLVSPVLFQEALWHVPEHAVVLEIAPHALLQAVLKRGLKPSCT
IIPLMKKDHRDNLEFFLAGIGRLHLSGIDANPNALFPPVEFPAPRGTPLISPLIKWDHSL
AWDVPAAEDFPNGSGSPSAAIYNIDTSSESPDHYLVDHTLDGRVLFPATGYLSIVWKTLA
RALGLGVEQLPVVFEDVVLHQATILPKTGTVSLEVRLLEASRAFEVSENGNLVVSGKVYQ
WDDPDPRLFDHPESPTPNPTEPLFLAQAEVYKELRLRGYDYGPHFQGILEASLEGDSGRL
LWKDNWVSFMDTMLQMSILGSAKHGLYLPTRVTAIHIDPATHRQKLYTLQDKAQVADVVV
SRWLRVTVAGGVHISGLHTESAPRRQQEQQVPILEKFCFTPHTEEGCLSERAALQEELQL
CKGLVQALQTKVTQQGLKMVVPGLDGAQIPRDPSQQELPRLLSAACRLQLNGNLQLELAQ
VLAQERPKLPEDPLLSGLLDSPALKACLDTAVENMPSLKMKVVEVLAGHGHLYSRIPGLL
SPHPLLQLSYTATDRHPQALEAAQAELQQHDVAQGQWDPADPAPSALGSADLLVCNCAVA
ALGDPASALSNMVAALREGGFLLLHTLLRGHPLGDIVAFLTSTEPQYGQGILSQDAWESL
FSRVSLRLVGLKKSFYGSTLFLCRRPTPQDSPIFLPVDDTSFRWVESLKGILADEDSSRP
VWLKAINCATSGVVGLVNCLRREPGGNRLRCVLLSNLSSTSHVPEVDPGSAELQKVLQGD
LVMNVYRDGAWGAFRHFLLEEDKPEEPTAHAFVSTLTRGDLSSIRWVCSSLRHAQPTCPG
AQLCTVYYASLNFRDIMLATGKLSPDAIPGKWTSQDSLLGMEFSGRDASGKRVMGLVPAK
GLATSVLLSPDFLWDVPSNWTLEEAASVPVVYSTAYYALVVRGRVRPGETLLIHSGSGGV
GQAAIAIALSLGCRVFTTVGSAEKRAYLQARFPQLDSTSFANSRDTSFEQHVLWHTGGKG
VDLVLNSLAEEKLQASVRCLATHGRFLEIGKFDLSQNHPLGMAIFLKNVTFHGVLLDAFF
NESSADWREVWALVQAGIRDGVVRPLKCTVFHGAQVEDAFRYMAQGKHIGKVVVQVLAEE
PEAVLKGAKPKLMSAISKTFCPAHKSYIIAGGLGGFGLELAQWLIQRGVQKLVLTSRSGI
RTGYQAKQVRRWRRQGVQVQVSTSNISSLEGARGLIAEAAQLGPVGGVFNLAVVLRDGLL
ENQTPEFFQDVCKPKYSGTLNLDRVTREACPELDYFVVFSSVSCGRGNAGQSNYGFANSA
MERICEKRRHEGLPGLAVQWGAIGDVGILVETMSTNDTIVSGTLPQRMASCLEVLDLFLN
QPHMVLSSFVLAEKAAAYRDRDSQRDLVEAVAHILGIRDLAAVNLDSSLADLGLDSLMSV
EVRQTLERELNLVLSVREVRQLTLRKLQELSSKADEASELACPTPKEDGLAQQQTQLNLR
SLLVNPEGPTLMRLNSVQSSERPLFLVHPIEGSTTVFHSLASRLSIPTYGLQCTRAAPLD
SIHSLAAYYIDCIRQVQPEGPYRVAGYSYGACVAFEMCSQLQAQQSPAPTHNSLFLFDGS
PTYVLAYTQSYRAKLTPGCEAEAETEAICFFVQQFTDMEHNRVLEALLPLKGLEERVAAA
VDLIIKSHQGLDRQELSFAARSFYYKLRAAEQYTPKAKYHGNVMLLRAKTGGAYGEDLGA
DYNLSQVCDGKVSVHVIEGDHRTLLEGSGLESIISIIHSSLAEPRVSVREG
Target Type
Successful
Target Bioclass
Enzyme
Subcellular location
Cytoplasm
Function
Fatty acid synthetase is a multifunctional enzyme that catalyzes the de novo biosynthesis of long-chain saturated fatty acids starting from acetyl-CoA and malonyl-CoA in the presence of NADPH. This multifunctional protein contains 7 catalytic activities and a site for the binding of the prosthetic group 4'-phosphopantetheine of the acyl carrier protein ([ACP]) domain.; (Microbial infection) Fatty acid synthetase activity is required for SARS coronavirus-2/SARS-CoV-2 replication.
TTD ID
T16514
Uniprot ID
P49327
DrugMap ID
TT7AOUD
Ensemble ID
ENST00000306749.4
HGNC ID
HGNC:3594
ChEMBL ID
CHEMBL4158

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 61 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		9.30  LDD0402  [1]
A-EBA
 Probe Info  		3.45  LDD0215  [2]
CY4
 Probe Info  		100.00  LDD0244  [3]
N1
 Probe Info  		100.00  LDD0242  [3]
TH211
 Probe Info  		Y1253(20.00); Y1707(20.00); Y2034(20.00); Y2454(20.00)  LDD0257  [4]
TH214
 Probe Info  		Y2034(20.00); Y289(20.00); Y2269(17.46); Y2439(14.48)  LDD0258  [4]
TH216
 Probe Info  		Y1253(20.00); Y2034(20.00); Y243(20.00); Y2454(20.00)  LDD0259  [4]
YN-4
 Probe Info  		100.00  LDD0445  [5]
ONAyne
 Probe Info  		K673(0.00); K436(0.00); K2186(0.00); K1704(0.00)  LDD0273  [6]
OPA-S-S-alkyne
 Probe Info  		K41(0.71); K1927(1.05); K673(2.24); K1704(2.47)  LDD3494  [7]
Probe 1
 Probe Info  		Y45(5.70); Y222(95.78); Y243(6.04); Y277(9.02)  LDD3495  [8]
JZ128-DTB
 Probe Info  		N.A.  LDD0462  [9]
THZ1-DTB
 Probe Info  		C212(1.14); C2468(1.17); C2202(1.13); C1141(1.05)  LDD0460  [9]
DA-P3
 Probe Info  		10.12  LDD0183  [10]
AHL-Pu-1
 Probe Info  		C634(2.94); C496(4.10); C2359(2.20); C223(20.00)  LDD0168  [11]
EA-probe
 Probe Info  		C1448(1.18)  LDD2210  [12]
HHS-482
 Probe Info  		Y1047(1.41); Y1253(1.44); Y130(1.05); Y1842(0.86)  LDD0285  [13]
HHS-475
 Probe Info  		Y1506(0.46); Y130(0.77); Y2269(0.79); Y2034(0.87)  LDD0264  [14]
HHS-465
 Probe Info  		Y130(10.00); Y1707(10.00); Y1842(10.00); Y1996(9.47)  LDD2237  [15]
DBIA
 Probe Info  		C2202(1.23); C1992(1.07); C1186(1.05); C1558(1.03)  LDD0078  [16]
5E-2FA
 Probe Info  		H2283(0.00); H1832(0.00); H1482(0.00); H104(0.00)  LDD2235  [17]
AMP probe
 Probe Info  		N.A.  LDD0200  [18]
ATP probe
 Probe Info  		K673(0.00); K1151(0.00); K528(0.00); K1847(0.00)  LDD0199  [18]
4-Iodoacetamidophenylacetylene
 Probe Info  		C2292(0.00); C1227(0.00); C2202(0.00); C223(0.00)  LDD0038  [19]
IA-alkyne
 Probe Info  		C1118(0.00); C1881(0.00); C1403(0.00); C2468(0.00)  LDD0032  [20]
IPIAA_H
 Probe Info  		C496(0.00); C1992(0.00)  LDD0030  [21]
IPIAA_L
 Probe Info  		C1471(0.00); C496(0.00); C2202(0.00); C1992(0.00)  LDD0031  [21]
Lodoacetamide azide
 Probe Info  		C1141(0.00); C2292(0.00); C1227(0.00); C2202(0.00)  LDD0037  [19]
ATP probe
 Probe Info  		K1151(0.00); K1878(0.00); K326(0.00); K1429(0.00)  LDD0035  [22]
BTD
 Probe Info  		C1118(0.00); C1992(0.00)  LDD0004  [23]
Dyn-2
 Probe Info  		N.A.  LDD0013  [23]
JW-RF-010
 Probe Info  		C313(0.00); C2273(0.00)  LDD0026  [24]
NAIA_4
 Probe Info  		C1459(0.00); C1448(0.00); C135(0.00); C212(0.00)  LDD2226  [25]
TFBX
 Probe Info  		C2273(0.00); C1186(0.00); C1227(0.00); C1141(0.00)  LDD0027  [24]
WYneC
 Probe Info  		N.A.  LDD0014  [23]
WYneN
 Probe Info  		C2202(0.00); C1118(0.00); C1448(0.00); C212(0.00)  LDD0021  [23]
WYneO
 Probe Info  		C2202(0.00); C1127(0.00); C1992(0.00); C1141(0.00)  LDD0022  [23]
aHNE
 Probe Info  		N.A.  LDD0001  [23]
1d-yne
 Probe Info  		K257(0.00); K2206(0.00)  LDD0356  [26]
Compound 10
 Probe Info  		C1141(0.00); C1227(0.00); C1448(0.00); C1471(0.00)  LDD2216  [27]
Compound 11
 Probe Info  		C1448(0.00); C1471(0.00); C1992(0.00); C2202(0.00)  LDD2213  [27]
ENE
 Probe Info  		C1186(0.00); C1141(0.00); C2202(0.00)  LDD0006  [23]
IPM
 Probe Info  		C1992(0.00); C1448(0.00); C1118(0.00); C2202(0.00)  LDD0005  [23]
NHS
 Probe Info  		K1151(0.00); K235(0.00); K1866(0.00); K2391(0.00)  LDD0010  [23]
NPM
 Probe Info  		C1759(0.00); C2202(0.00); C634(0.00)  LDD0016  [23]
OSF
 Probe Info  		Y2034(0.00); H1056(0.00)  LDD0029  [28]
PF-06672131
 Probe Info  		C212(0.00); C1141(0.00); C1186(0.00); C1403(0.00)  LDD0017  [29]
SF
 Probe Info  		K1866(0.00); K1704(0.00); Y45(0.00); Y2034(0.00)  LDD0028  [28]
STPyne
 Probe Info  		K673(0.00); K1704(0.00); K2206(0.00); K1142(0.00)  LDD0009  [23]
VSF
 Probe Info  		C2202(0.00); C1992(0.00); C1448(0.00); C1227(0.00)  LDD0007  [23]
YN-1
 Probe Info  		N.A.  LDD0446  [5]
Phosphinate-6
 Probe Info  		C2359(0.00); C1881(0.00); C1558(0.00)  LDD0018  [30]
Ox-W18
 Probe Info  		W750(0.00); W896(0.00)  LDD2175  [31]
1c-yne
 Probe Info  		K2193(0.00); K2449(0.00); K2206(0.00); K70(0.00)  LDD0228  [26]
Acrolein
 Probe Info  		C1992(0.00); C1118(0.00); C1828(0.00); C2202(0.00)  LDD0217  [32]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [32]
Crotonaldehyde
 Probe Info  		C2202(0.00); C223(0.00); C1141(0.00); C2273(0.00)  LDD0219  [32]
Methacrolein
 Probe Info  		C1118(0.00); C1448(0.00); C1227(0.00); C2202(0.00)  LDD0218  [32]
W1
 Probe Info  		C1992(0.00); C2273(0.00); C2202(0.00); C212(0.00)  LDD0236  [33]
NAIA_5
 Probe Info  		C1141(0.00); C2292(0.00); C1227(0.00); C2202(0.00)  LDD2223  [25]
THL-R
 Probe Info  		N.A.  LDD0077  [34]
PAL-AfBPP Probe
Click To Hide/Show 14 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C163
 Probe Info  		7.73  LDD1843  [35]
C220
 Probe Info  		14.03  LDD1894  [35]
C265
 Probe Info  		15.14  LDD1936  [35]
C376
 Probe Info  		7.41  LDD2036  [35]
FFF probe11
 Probe Info  		9.77  LDD0471  [36]
FFF probe13
 Probe Info  		14.50  LDD0475  [36]
FFF probe14
 Probe Info  		13.80  LDD0477  [36]
JN0003
 Probe Info  		13.93  LDD0469  [36]
VE-P
 Probe Info  		N.A.  LDD0396  [37]
Diazir
 Probe Info  		C2202(0.00); E1115(0.00)  LDD0011  [23]
LD-F
 Probe Info  		A2453(0.00); D2457(0.00)  LDD0015  [38]
DA-2
 Probe Info  		N.A.  LDD0071  [39]
OEA-DA
 Probe Info  		4.38  LDD0046  [40]
STS-1
 Probe Info  		N.A.  LDD0068  [41]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C1759(0.82); C2202(0.83); C313(0.54); C1881(1.04)  LDD2142  [42]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C1759(1.14); C2202(0.80); C1881(0.87); C1186(0.67)  LDD2112  [42]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C1759(0.71); C2202(0.71); C313(0.69); C1881(0.65)  LDD2095  [42]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C1759(1.00); C2202(0.85); C313(0.88); C1881(1.01)  LDD2130  [42]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C1759(1.41); C2202(0.92); C313(0.92); C1881(1.19)  LDD2117  [42]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C1759(1.34); C2202(1.02); C313(1.48); C1881(1.54)  LDD2152  [42]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C1881(1.49); C1186(1.07); C779(1.18)  LDD2103  [42]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C1759(0.88); C2202(0.74); C313(0.45); C1881(0.61)  LDD2132  [42]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C1759(0.65); C2202(0.84); C313(0.60); C1881(0.63)  LDD2131  [42]
 LDCM0025  4SU-RNA HEK-293T C634(2.94); C496(4.10); C2359(2.20); C223(20.00)  LDD0168  [11]
 LDCM0026  4SU-RNA+native RNA HEK-293T C496(3.10); C313(2.25); C2359(2.40); C2273(3.02)  LDD0169  [11]
 LDCM0214  AC1 HCT 116 C2359(0.43); C2369(0.43); C1118(1.13); C1127(0.96)  LDD0531  [16]
 LDCM0215  AC10 HCT 116 C2359(0.49); C2369(0.49); C1118(1.00); C1127(0.90)  LDD0532  [16]
 LDCM0216  AC100 HCT 116 C2359(0.45); C2369(0.45); C1118(0.69); C1127(0.73)  LDD0533  [16]
 LDCM0217  AC101 HCT 116 C2359(0.48); C2369(0.48); C1118(0.67); C1127(0.66)  LDD0534  [16]
 LDCM0218  AC102 HCT 116 C2359(0.53); C2369(0.53); C1118(0.64); C1127(0.67)  LDD0535  [16]
 LDCM0219  AC103 HCT 116 C2359(0.48); C2369(0.48); C1118(0.53); C1127(0.53)  LDD0536  [16]
 LDCM0220  AC104 HCT 116 C2359(0.41); C2369(0.41); C1118(0.56); C1127(0.58)  LDD0537  [16]
 LDCM0221  AC105 HCT 116 C2359(0.41); C2369(0.41); C1118(0.56); C1127(0.55)  LDD0538  [16]
 LDCM0222  AC106 HCT 116 C2359(0.44); C2369(0.44); C1118(0.58); C1127(0.61)  LDD0539  [16]
 LDCM0223  AC107 HCT 116 C2359(0.36); C2369(0.43); C1118(0.57); C1127(0.61)  LDD0540  [16]
 LDCM0224  AC108 HCT 116 C2359(0.46); C2369(0.57); C1118(0.71); C1127(0.69)  LDD0541  [16]
 LDCM0225  AC109 HCT 116 C2359(0.64); C2369(0.38); C1118(0.74); C1127(0.76)  LDD0542  [16]
 LDCM0226  AC11 HCT 116 C2359(0.46); C2369(0.46); C1118(1.02); C1127(0.95)  LDD0543  [16]
 LDCM0227  AC110 HCT 116 C2359(0.54); C2369(0.43); C1118(0.71); C1127(0.66)  LDD0544  [16]
 LDCM0228  AC111 HCT 116 C2359(0.62); C2369(0.40); C1118(0.67); C1127(0.63)  LDD0545  [16]
 LDCM0229  AC112 HCT 116 C2359(0.41); C2369(0.44); C1118(0.60); C1127(0.59)  LDD0546  [16]
 LDCM0230  AC113 HCT 116 C2359(0.59); C2369(0.59); C1118(1.24); C1127(1.22)  LDD0547  [16]
 LDCM0231  AC114 HCT 116 C2359(0.52); C2369(0.52); C1118(0.92); C1127(0.92)  LDD0548  [16]
 LDCM0232  AC115 HCT 116 C2359(0.38); C2369(0.38); C1118(0.65); C1127(0.62)  LDD0549  [16]
 LDCM0233  AC116 HCT 116 C2359(0.37); C2369(0.37); C1118(0.72); C1127(0.76)  LDD0550  [16]
 LDCM0234  AC117 HCT 116 C2359(0.52); C2369(0.52); C1118(0.84); C1127(0.78)  LDD0551  [16]
 LDCM0235  AC118 HCT 116 C2359(0.38); C2369(0.38); C1118(1.04); C1127(1.00)  LDD0552  [16]
 LDCM0236  AC119 HCT 116 C2359(0.36); C2369(0.36); C1118(0.87); C1127(0.87)  LDD0553  [16]
 LDCM0237  AC12 HCT 116 C2359(0.73); C2369(0.73); C1118(1.08); C1127(1.15)  LDD0554  [16]
 LDCM0238  AC120 HCT 116 C2359(0.38); C2369(0.38); C1118(1.00); C1127(0.98)  LDD0555  [16]
 LDCM0239  AC121 HCT 116 C2359(0.36); C2369(0.36); C1118(1.01); C1127(0.96)  LDD0556  [16]
 LDCM0240  AC122 HCT 116 C2359(0.35); C2369(0.35); C1118(0.86); C1127(0.90)  LDD0557  [16]
 LDCM0241  AC123 HCT 116 C2359(0.52); C2369(0.52); C1118(1.08); C1127(1.15)  LDD0558  [16]
 LDCM0242  AC124 HCT 116 C2359(0.49); C2369(0.49); C1118(1.10); C1127(1.12)  LDD0559  [16]
 LDCM0243  AC125 HCT 116 C2359(1.03); C2369(1.03); C1118(1.02); C1127(1.06)  LDD0560  [16]
 LDCM0244  AC126 HCT 116 C2359(0.38); C2369(0.38); C1118(0.71); C1127(0.78)  LDD0561  [16]
 LDCM0245  AC127 HCT 116 C2359(0.46); C2369(0.46); C1118(0.74); C1127(0.75)  LDD0562  [16]
 LDCM0246  AC128 HCT 116 C2359(0.51); C2369(0.51); C1118(0.99); C1127(1.47)  LDD0563  [16]
 LDCM0247  AC129 HCT 116 C2359(1.34); C2369(1.34); C1118(1.08); C1127(1.31)  LDD0564  [16]
 LDCM0249  AC130 HCT 116 C2359(0.79); C2369(0.79); C1118(1.12); C1127(1.11)  LDD0566  [16]
 LDCM0250  AC131 HCT 116 C2359(2.30); C2369(2.30); C1118(1.08); C1127(1.15)  LDD0567  [16]
 LDCM0251  AC132 HCT 116 C2359(0.79); C2369(0.79); C1118(0.96); C1127(0.96)  LDD0568  [16]
 LDCM0252  AC133 HCT 116 C2359(0.51); C2369(0.51); C1118(0.98); C1127(1.04)  LDD0569  [16]
 LDCM0253  AC134 HCT 116 C2359(0.50); C2369(0.50); C1118(1.04); C1127(0.91)  LDD0570  [16]
 LDCM0254  AC135 HCT 116 C2359(0.63); C2369(0.63); C1118(1.05); C1127(1.01)  LDD0571  [16]
 LDCM0255  AC136 HCT 116 C2359(0.47); C2369(0.47); C1118(1.16); C1127(0.92)  LDD0572  [16]
 LDCM0256  AC137 HCT 116 C2359(0.59); C2369(0.59); C1118(1.13); C1127(1.02)  LDD0573  [16]
 LDCM0257  AC138 HCT 116 C2359(0.48); C2369(0.48); C1118(1.24); C1127(0.89)  LDD0574  [16]
 LDCM0258  AC139 HCT 116 C2359(0.51); C2369(0.51); C1118(1.05); C1127(0.77)  LDD0575  [16]
 LDCM0259  AC14 HCT 116 C2359(0.33); C2369(0.33); C1118(0.98); C1127(0.92)  LDD0576  [16]
 LDCM0260  AC140 HCT 116 C2359(0.52); C2369(0.52); C1118(1.14); C1127(0.81)  LDD0577  [16]
 LDCM0261  AC141 HCT 116 C2359(0.61); C2369(0.61); C1118(1.23); C1127(0.77)  LDD0578  [16]
 LDCM0262  AC142 HCT 116 C2359(0.55); C2369(0.55); C1118(1.14); C1127(0.98)  LDD0579  [16]
 LDCM0263  AC143 HCT 116 C2359(0.86); C2369(0.86); C1118(0.82); C1127(0.96)  LDD0580  [16]
 LDCM0264  AC144 HCT 116 C2010(0.35); C1992(0.57); C1471(0.58); C1118(0.62)  LDD0581  [16]
 LDCM0265  AC145 HCT 116 C1471(0.70); C1992(0.74); C2010(0.79); C1118(0.80)  LDD0582  [16]
 LDCM0266  AC146 HCT 116 C2010(0.35); C1141(0.60); C1118(0.60); C634(0.61)  LDD0583  [16]
 LDCM0267  AC147 HCT 116 C2010(0.38); C1471(0.47); C1118(0.59); C1992(0.61)  LDD0584  [16]
 LDCM0268  AC148 HCT 116 C2010(0.18); C2024(0.36); C634(0.37); C642(0.37)  LDD0585  [16]
 LDCM0269  AC149 HCT 116 C2010(0.18); C2024(0.37); C1471(0.39); C1118(0.46)  LDD0586  [16]
 LDCM0270  AC15 HCT 116 C2359(0.53); C2369(0.53); C634(0.59); C642(0.59)  LDD0587  [16]
 LDCM0271  AC150 HCT 116 C2010(0.45); C1992(0.69); C630(0.69); C2359(0.70)  LDD0588  [16]
 LDCM0272  AC151 HCT 116 C1227(0.61); C2010(0.70); C1759(0.76); C496(0.76)  LDD0589  [16]
 LDCM0273  AC152 HCT 116 C2010(0.23); C2024(0.38); C1471(0.43); C1118(0.55)  LDD0590  [16]
 LDCM0274  AC153 HCT 116 C2010(0.23); C634(0.34); C642(0.34); C630(0.37)  LDD0591  [16]
 LDCM0621  AC154 HCT 116 C2359(0.85); C2369(0.85); C1118(0.67); C1127(0.74)  LDD2158  [16]
 LDCM0622  AC155 HCT 116 C2359(0.78); C2369(0.78); C1118(0.63); C1127(0.74)  LDD2159  [16]
 LDCM0623  AC156 HCT 116 C2359(0.86); C2369(0.86); C1118(0.85); C1127(0.90)  LDD2160  [16]
 LDCM0624  AC157 HCT 116 C2359(1.02); C2369(1.02); C1118(0.88); C1127(0.91)  LDD2161  [16]
 LDCM0276  AC17 HCT 116 C496(0.78); C1828(0.84); C630(0.90); C223(0.90)  LDD0593  [16]
 LDCM0277  AC18 HCT 116 C1828(0.73); C1141(0.74); C496(0.76); C2468(0.77)  LDD0594  [16]
 LDCM0278  AC19 HCT 116 C496(0.69); C630(0.81); C1881(0.81); C1127(0.86)  LDD0595  [16]
 LDCM0279  AC2 HCT 116 C2359(0.53); C2369(0.53); C2010(0.60); C1881(0.66)  LDD0596  [16]
 LDCM0280  AC20 HCT 116 C1828(0.79); C1881(0.82); C1759(0.83); C630(0.84)  LDD0597  [16]
 LDCM0281  AC21 HCT 116 C496(0.77); C1828(0.80); C1881(0.84); C1759(0.86)  LDD0598  [16]
 LDCM0282  AC22 HCT 116 C496(0.68); C1881(0.85); C634(0.87); C642(0.87)  LDD0599  [16]
 LDCM0283  AC23 HCT 116 C496(0.63); C1828(0.76); C1881(0.81); C223(0.87)  LDD0600  [16]
 LDCM0284  AC24 HCT 116 C1881(0.75); C1828(0.80); C630(0.92); C496(0.93)  LDD0601  [16]
 LDCM0285  AC25 HCT 116 C2010(0.64); C2359(0.68); C2369(0.68); C779(0.75)  LDD0602  [16]
 LDCM0286  AC26 HCT 116 C2010(0.47); C2359(0.49); C2369(0.49); C1558(0.56)  LDD0603  [16]
 LDCM0287  AC27 HCT 116 C2010(0.58); C1118(0.66); C1127(0.68); C2359(0.68)  LDD0604  [16]
 LDCM0288  AC28 HCT 116 C2010(0.48); C2359(0.52); C2369(0.52); C779(0.62)  LDD0605  [16]
 LDCM0289  AC29 HCT 116 C1403(0.53); C779(0.56); C1127(0.66); C1118(0.67)  LDD0606  [16]
 LDCM0290  AC3 HCT 116 C2359(0.48); C2369(0.48); C2010(0.63); C1564(0.71)  LDD0607  [16]
 LDCM0291  AC30 HCT 116 C1881(0.52); C779(0.55); C1759(0.60); C2010(0.61)  LDD0608  [16]
 LDCM0292  AC31 HCT 116 C2359(0.47); C2369(0.47); C2010(0.50); C1558(0.58)  LDD0609  [16]
 LDCM0293  AC32 HCT 116 C2010(0.28); C2359(0.44); C2369(0.44); C2024(0.52)  LDD0610  [16]
 LDCM0294  AC33 HCT 116 C2010(0.50); C1881(0.59); C634(0.61); C642(0.61)  LDD0611  [16]
 LDCM0295  AC34 HCT 116 C2010(0.49); C1141(0.52); C634(0.54); C642(0.54)  LDD0612  [16]
 LDCM0296  AC35 HCT 116 C1403(0.70); C1558(0.75); C1186(0.88); C2202(0.90)  LDD0613  [16]
 LDCM0297  AC36 HCT 116 C1558(0.64); C1564(0.83); C1186(0.87); C2202(0.91)  LDD0614  [16]
 LDCM0298  AC37 HCT 116 C2359(0.89); C2369(0.89); C2202(0.93); C1564(0.94)  LDD0615  [16]
 LDCM0299  AC38 HCT 116 C1881(0.79); C1759(0.81); C630(0.87); C2202(0.91)  LDD0616  [16]
 LDCM0300  AC39 HCT 116 C1558(0.53); C2359(0.63); C2369(0.63); C2024(0.64)  LDD0617  [16]
 LDCM0301  AC4 HCT 116 C2359(0.41); C2369(0.41); C2010(0.46); C634(0.53)  LDD0618  [16]
 LDCM0302  AC40 HCT 116 C1558(0.53); C1564(0.64); C1828(0.72); C1992(0.73)  LDD0619  [16]
 LDCM0303  AC41 HCT 116 C1558(0.41); C1564(0.61); C1881(0.64); C1759(0.72)  LDD0620  [16]
 LDCM0304  AC42 HCT 116 C1558(0.47); C1881(0.59); C1759(0.68); C1564(0.73)  LDD0621  [16]
 LDCM0305  AC43 HCT 116 C1881(0.50); C1558(0.60); C1759(0.73); C1564(0.75)  LDD0622  [16]
 LDCM0306  AC44 HCT 116 C1558(0.59); C2359(0.63); C2369(0.63); C1564(0.66)  LDD0623  [16]
 LDCM0307  AC45 HCT 116 C1558(0.49); C1828(0.62); C1564(0.62); C1881(0.69)  LDD0624  [16]
 LDCM0308  AC46 HCT 116 C1548(0.73); C1881(0.79); C634(0.86); C642(0.86)  LDD0625  [16]
 LDCM0309  AC47 HCT 116 C2010(0.62); C2024(0.64); C634(0.81); C642(0.81)  LDD0626  [16]
 LDCM0310  AC48 HCT 116 C1558(0.63); C2024(0.73); C2010(0.75); C2273(0.79)  LDD0627  [16]
 LDCM0311  AC49 HCT 116 C634(0.55); C642(0.55); C1227(0.56); C1403(0.61)  LDD0628  [16]
 LDCM0312  AC5 HCT 116 C2359(0.31); C2369(0.31); C2010(0.46); C634(0.49)  LDD0629  [16]
 LDCM0313  AC50 HCT 116 C2010(0.52); C2024(0.57); C1227(0.57); C634(0.59)  LDD0630  [16]
 LDCM0314  AC51 HCT 116 C1881(0.75); C1548(0.76); C779(0.91); C2202(0.93)  LDD0631  [16]
 LDCM0315  AC52 HCT 116 C779(0.78); C1881(0.79); C2010(0.80); C1141(0.81)  LDD0632  [16]
 LDCM0316  AC53 HCT 116 C1881(0.48); C1227(0.65); C634(0.68); C642(0.68)  LDD0633  [16]
 LDCM0317  AC54 HCT 116 C2010(0.57); C2024(0.63); C1881(0.70); C1759(0.71)  LDD0634  [16]
 LDCM0318  AC55 HCT 116 C1881(0.44); C2010(0.49); C2024(0.54); C1828(0.55)  LDD0635  [16]
 LDCM0319  AC56 HCT 116 C634(0.45); C642(0.45); C630(0.47); C496(0.51)  LDD0636  [16]
 LDCM0320  AC57 HCT 116 C2359(0.16); C2369(0.16); C2010(0.35); C2024(0.37)  LDD0637  [16]
 LDCM0321  AC58 HCT 116 C2359(0.28); C2369(0.28); C1227(0.46); C1118(0.57)  LDD0638  [16]
 LDCM0322  AC59 HCT 116 C2359(0.16); C2369(0.16); C2010(0.28); C2024(0.29)  LDD0639  [16]
 LDCM0323  AC6 HCT 116 C2010(0.55); C2359(0.59); C2369(0.59); C634(0.60)  LDD0640  [16]
 LDCM0324  AC60 HCT 116 C2359(0.15); C2369(0.15); C2010(0.40); C2024(0.43)  LDD0641  [16]
 LDCM0325  AC61 HCT 116 C2359(0.12); C2369(0.12); C2024(0.41); C2010(0.43)  LDD0642  [16]
 LDCM0326  AC62 HCT 116 C2359(0.26); C2369(0.26); C2010(0.30); C2024(0.32)  LDD0643  [16]
 LDCM0327  AC63 HCT 116 C2359(0.13); C2369(0.13); C2010(0.32); C2024(0.34)  LDD0644  [16]
 LDCM0328  AC64 HCT 116 C2359(0.13); C2369(0.13); C2010(0.24); C2024(0.27)  LDD0645  [16]
 LDCM0329  AC65 HCT 116 C2359(0.10); C2369(0.10); C2010(0.18); C2024(0.19)  LDD0646  [16]
 LDCM0330  AC66 HCT 116 C2359(0.12); C2369(0.12); C2010(0.27); C2024(0.30)  LDD0647  [16]
 LDCM0331  AC67 HCT 116 C2359(0.06); C2369(0.06); C2010(0.12); C2024(0.13)  LDD0648  [16]
 LDCM0332  AC68 HCT 116 C2024(0.40); C2359(0.43); C2369(0.43); C1992(0.60)  LDD0649  [16]
 LDCM0333  AC69 HCT 116 C2359(0.49); C2369(0.49); C2024(0.60); C630(0.72)  LDD0650  [16]
 LDCM0334  AC7 HCT 116 C2359(0.59); C2369(0.59); C634(0.64); C642(0.64)  LDD0651  [16]
 LDCM0335  AC70 HCT 116 C2359(0.30); C2369(0.30); C2024(0.33); C1564(0.50)  LDD0652  [16]
 LDCM0336  AC71 HCT 116 C2359(0.44); C2369(0.44); C2024(0.63); C2010(0.77)  LDD0653  [16]
 LDCM0337  AC72 HCT 116 C2359(0.58); C2369(0.58); C1564(0.61); C2024(0.62)  LDD0654  [16]
 LDCM0338  AC73 HCT 116 C2359(0.33); C2369(0.33); C634(0.47); C642(0.47)  LDD0655  [16]
 LDCM0339  AC74 HCT 116 C2359(0.33); C2369(0.33); C2024(0.52); C1227(0.61)  LDD0656  [16]
 LDCM0340  AC75 HCT 116 C2359(0.35); C2369(0.35); C2024(0.38); C634(0.45)  LDD0657  [16]
 LDCM0341  AC76 HCT 116 C2024(0.44); C2359(0.50); C2369(0.50); C1227(0.61)  LDD0658  [16]
 LDCM0342  AC77 HCT 116 C2359(0.36); C2369(0.36); C2024(0.38); C1227(0.55)  LDD0659  [16]
 LDCM0343  AC78 HCT 116 C2359(0.44); C2369(0.44); C2024(0.65); C1881(0.72)  LDD0660  [16]
 LDCM0344  AC79 HCT 116 C2359(0.48); C2369(0.48); C2024(0.56); C1881(0.59)  LDD0661  [16]
 LDCM0345  AC8 HCT 116 C2359(0.55); C2369(0.55); C634(0.68); C642(0.68)  LDD0662  [16]
 LDCM0346  AC80 HCT 116 C2024(0.42); C2359(0.47); C2369(0.47); C1564(0.63)  LDD0663  [16]
 LDCM0347  AC81 HCT 116 C2359(0.43); C2369(0.43); C2010(0.54); C2024(0.65)  LDD0664  [16]
 LDCM0348  AC82 HCT 116 C2359(0.27); C2369(0.27); C2024(0.41); C634(0.41)  LDD0665  [16]
 LDCM0349  AC83 HCT 116 C2010(0.34); C496(0.43); C2024(0.52); C1564(0.53)  LDD0666  [16]
 LDCM0350  AC84 HCT 116 C2010(0.33); C2024(0.42); C496(0.49); C2359(0.51)  LDD0667  [16]
 LDCM0351  AC85 HCT 116 C1564(0.53); C2359(0.55); C2369(0.55); C2010(0.58)  LDD0668  [16]
 LDCM0352  AC86 HCT 116 C496(0.41); C1564(0.65); C2010(0.66); C2359(0.66)  LDD0669  [16]
 LDCM0353  AC87 HCT 116 C496(0.35); C1564(0.64); C1558(0.66); C1828(0.73)  LDD0670  [16]
 LDCM0354  AC88 HCT 116 C496(0.45); C1558(0.74); C1564(0.75); C630(0.78)  LDD0671  [16]
 LDCM0355  AC89 HCT 116 C496(0.33); C1564(0.56); C1881(0.57); C1141(0.60)  LDD0672  [16]
 LDCM0357  AC90 HCT 116 C496(0.30); C1558(0.65); C779(0.69); C223(0.71)  LDD0674  [16]
 LDCM0358  AC91 HCT 116 C2010(0.39); C1564(0.45); C496(0.49); C1127(0.54)  LDD0675  [16]
 LDCM0359  AC92 HCT 116 C496(0.39); C2010(0.42); C1564(0.47); C1558(0.49)  LDD0676  [16]
 LDCM0360  AC93 HCT 116 C496(0.45); C1558(0.57); C1564(0.59); C2359(0.65)  LDD0677  [16]
 LDCM0361  AC94 HCT 116 C1564(0.63); C1118(0.71); C1127(0.72); C496(0.72)  LDD0678  [16]
 LDCM0362  AC95 HCT 116 C496(0.35); C1564(0.71); C1881(0.75); C1558(0.78)  LDD0679  [16]
 LDCM0363  AC96 HCT 116 C634(0.57); C642(0.57); C1564(0.62); C1127(0.65)  LDD0680  [16]
 LDCM0364  AC97 HCT 116 C496(0.26); C1127(0.53); C1881(0.53); C1759(0.55)  LDD0681  [16]
 LDCM0365  AC98 HCT 116 C2010(0.08); C2359(0.11); C2369(0.11); C2024(0.12)  LDD0682  [16]
 LDCM0366  AC99 HCT 116 C630(0.56); C2359(0.57); C2369(0.57); C1828(0.59)  LDD0683  [16]
 LDCM0545  Acetamide MDA-MB-231 C1759(0.68); C2202(0.90); C1881(0.36); C1186(0.52)  LDD2138  [42]
 LDCM0520  AKOS000195272 MDA-MB-231 C1759(1.23); C2202(0.54); C313(1.18); C1881(0.82)  LDD2113  [42]
 LDCM0248  AKOS034007472 HCT 116 C2359(0.55); C2369(0.55); C1118(1.14); C1127(1.09)  LDD0565  [16]
 LDCM0356  AKOS034007680 HCT 116 C2359(0.52); C2369(0.52); C2010(0.64); C1881(0.68)  LDD0673  [16]
 LDCM0275  AKOS034007705 HCT 116 C2010(0.24); C1227(0.32); C2359(0.34); C2369(0.34)  LDD0592  [16]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C2202(1.23); C1992(1.07); C1186(1.05); C1558(1.03)  LDD0078  [16]
 LDCM0102  BDHI 8 Jurkat C1448(14.17); C1459(14.17)  LDD0204  [43]
 LDCM0498  BS-3668 MDA-MB-231 C1759(0.89); C2202(0.69); C313(0.94); C1881(0.57)  LDD2091  [42]
 LDCM0630  CCW28-3 231MFP C2369(1.88); C2359(1.45); C1448(0.82)  LDD2214  [44]
 LDCM0108  Chloroacetamide HeLa C2468(0.00); H1004(0.00); C1992(0.00); C1448(0.00)  LDD0222  [32]
 LDCM0632  CL-Sc Hep-G2 C634(20.00); C1471(20.00); C135(20.00); C1186(2.53)  LDD2227  [25]
 LDCM0367  CL1 HCT 116 C1227(0.81); C1118(0.83); C1881(0.85); C212(0.85)  LDD0684  [16]
 LDCM0368  CL10 HCT 116 C2010(0.57); C1227(0.65); C1881(0.68); C2024(0.69)  LDD0685  [16]
 LDCM0369  CL100 HCT 116 C2359(0.46); C2369(0.46); C2010(0.48); C634(0.57)  LDD0686  [16]
 LDCM0370  CL101 HCT 116 C2010(0.41); C2359(0.47); C2369(0.47); C2024(0.57)  LDD0687  [16]
 LDCM0371  CL102 HCT 116 C2359(0.61); C2369(0.61); C2010(0.66); C2273(0.76)  LDD0688  [16]
 LDCM0372  CL103 HCT 116 C2010(0.69); C1227(0.74); C1881(0.75); C2024(0.76)  LDD0689  [16]
 LDCM0373  CL104 HCT 116 C1881(0.71); C2359(0.73); C2369(0.73); C2468(0.76)  LDD0690  [16]
 LDCM0374  CL105 HCT 116 C496(0.59); C634(0.69); C642(0.69); C2468(0.79)  LDD0691  [16]
 LDCM0375  CL106 HCT 116 C496(0.54); C2010(0.57); C634(0.62); C642(0.62)  LDD0692  [16]
 LDCM0376  CL107 HCT 116 C2010(0.55); C1558(0.58); C1564(0.63); C496(0.63)  LDD0693  [16]
 LDCM0377  CL108 HCT 116 C1558(0.54); C2010(0.58); C496(0.59); C1564(0.60)  LDD0694  [16]
 LDCM0378  CL109 HCT 116 C1881(0.60); C496(0.62); C1828(0.65); C2010(0.72)  LDD0695  [16]
 LDCM0379  CL11 HCT 116 C2010(0.50); C1227(0.56); C634(0.58); C642(0.58)  LDD0696  [16]
 LDCM0380  CL110 HCT 116 C496(0.55); C2010(0.60); C1828(0.64); C1881(0.66)  LDD0697  [16]
 LDCM0381  CL111 HCT 116 C1881(0.57); C496(0.62); C1759(0.66); C1828(0.66)  LDD0698  [16]
 LDCM0382  CL112 HCT 116 C2010(0.50); C2024(0.53); C2359(0.65); C2369(0.65)  LDD0699  [16]
 LDCM0383  CL113 HCT 116 C2010(0.42); C2359(0.55); C2369(0.55); C1141(0.59)  LDD0700  [16]
 LDCM0384  CL114 HCT 116 C1759(0.58); C1141(0.59); C779(0.60); C1881(0.62)  LDD0701  [16]
 LDCM0385  CL115 HCT 116 C2010(0.43); C1881(0.54); C1403(0.61); C1759(0.64)  LDD0702  [16]
 LDCM0386  CL116 HCT 116 C2010(0.37); C2359(0.46); C2369(0.46); C1881(0.60)  LDD0703  [16]
 LDCM0387  CL117 HCT 116 C1558(0.47); C1828(0.51); C630(0.59); C496(0.61)  LDD0704  [16]
 LDCM0388  CL118 HCT 116 C1558(0.46); C1564(0.65); C1881(0.70); C2024(0.71)  LDD0705  [16]
 LDCM0389  CL119 HCT 116 C1558(0.61); C1881(0.66); C1564(0.73); C1992(0.74)  LDD0706  [16]
 LDCM0390  CL12 HCT 116 C2010(0.39); C1227(0.53); C2359(0.56); C2369(0.56)  LDD0707  [16]
 LDCM0391  CL120 HCT 116 C1558(0.48); C1564(0.58); C2024(0.59); C1881(0.64)  LDD0708  [16]
 LDCM0392  CL121 HCT 116 C1564(0.50); C1881(0.59); C1759(0.63); C1127(0.66)  LDD0709  [16]
 LDCM0393  CL122 HCT 116 C1881(0.63); C1548(0.70); C2468(0.77); C2273(0.80)  LDD0710  [16]
 LDCM0394  CL123 HCT 116 C1881(0.63); C1227(0.64); C1759(0.65); C1828(0.68)  LDD0711  [16]
 LDCM0395  CL124 HCT 116 C1881(0.50); C1227(0.59); C2010(0.60); C1759(0.63)  LDD0712  [16]
 LDCM0396  CL125 HCT 116 C2359(0.29); C2369(0.29); C2024(0.65); C2010(0.71)  LDD0713  [16]
 LDCM0397  CL126 HCT 116 C2359(0.27); C2369(0.27); C2024(0.57); C2010(0.63)  LDD0714  [16]
 LDCM0398  CL127 HCT 116 C2359(0.36); C2369(0.36); C2024(0.70); C1403(0.72)  LDD0715  [16]
 LDCM0399  CL128 HCT 116 C2359(0.22); C2369(0.22); C2010(0.35); C2024(0.35)  LDD0716  [16]
 LDCM0400  CL13 HCT 116 C2273(0.68); C2468(0.72); C1881(0.72); C1227(0.76)  LDD0717  [16]
 LDCM0401  CL14 HCT 116 C1227(0.67); C1881(0.67); C1127(0.76); C1118(0.84)  LDD0718  [16]
 LDCM0402  CL15 HCT 116 C1881(0.63); C2359(0.64); C2369(0.64); C2010(0.69)  LDD0719  [16]
 LDCM0403  CL16 HCT 116 C1227(0.70); C1828(0.73); C1141(0.73); C1127(0.73)  LDD0720  [16]
 LDCM0404  CL17 HCT 116 C1227(0.68); C634(0.71); C642(0.71); C779(0.74)  LDD0721  [16]
 LDCM0405  CL18 HCT 116 C2273(0.64); C2359(0.65); C2369(0.65); C1227(0.66)  LDD0722  [16]
 LDCM0406  CL19 HCT 116 C2010(0.62); C2273(0.74); C1992(0.78); C2359(0.81)  LDD0723  [16]
 LDCM0407  CL2 HCT 116 C2024(0.86); C1118(0.90); C1227(0.92); C634(0.94)  LDD0724  [16]
 LDCM0408  CL20 HCT 116 C2010(0.50); C1141(0.63); C1227(0.65); C1564(0.68)  LDD0725  [16]
 LDCM0409  CL21 HCT 116 C2010(0.49); C1227(0.53); C630(0.55); C1141(0.59)  LDD0726  [16]
 LDCM0410  CL22 HCT 116 C630(0.38); C634(0.46); C642(0.46); C1828(0.55)  LDD0727  [16]
 LDCM0411  CL23 HCT 116 C1227(0.65); C1992(0.66); C1459(0.68); C630(0.69)  LDD0728  [16]
 LDCM0412  CL24 HCT 116 C2010(0.47); C1227(0.51); C630(0.53); C1828(0.56)  LDD0729  [16]
 LDCM0413  CL25 HCT 116 C2359(1.08); C2369(1.08); C1118(0.93); C1127(0.76)  LDD0730  [16]
 LDCM0414  CL26 HCT 116 C2359(1.11); C2369(1.11); C1118(1.06); C1127(0.90)  LDD0731  [16]
 LDCM0415  CL27 HCT 116 C2359(0.80); C2369(0.80); C1118(1.09); C1127(1.07)  LDD0732  [16]
 LDCM0416  CL28 HCT 116 C2359(1.16); C2369(1.16); C1118(0.93); C1127(0.71)  LDD0733  [16]
 LDCM0417  CL29 HCT 116 C2359(0.86); C2369(0.86); C1118(0.96); C1127(0.80)  LDD0734  [16]
 LDCM0418  CL3 HCT 116 C2359(1.06); C2369(1.06); C1118(0.93); C1127(0.77)  LDD0735  [16]
 LDCM0419  CL30 HCT 116 C2359(1.34); C2369(1.34); C1118(1.02); C1127(0.88)  LDD0736  [16]
 LDCM0420  CL31 HCT 116 C2359(1.15); C2369(0.91); C1118(0.88); C1127(0.80)  LDD0737  [16]
 LDCM0421  CL32 HCT 116 C2359(0.95); C2369(0.51); C1118(0.96); C1127(0.85)  LDD0738  [16]
 LDCM0422  CL33 HCT 116 C2359(1.76); C2369(1.11); C1118(0.83); C1127(0.76)  LDD0739  [16]
 LDCM0423  CL34 HCT 116 C2359(1.11); C2369(0.74); C1118(0.90); C1127(0.69)  LDD0740  [16]
 LDCM0424  CL35 HCT 116 C2359(2.23); C2369(1.39); C1118(0.86); C1127(0.68)  LDD0741  [16]
 LDCM0425  CL36 HCT 116 C2359(1.44); C2369(0.98); C1118(0.83); C1127(0.76)  LDD0742  [16]
 LDCM0426  CL37 HCT 116 C2359(1.57); C2369(0.89); C1118(0.91); C1127(0.86)  LDD0743  [16]
 LDCM0428  CL39 HCT 116 C2359(1.67); C2369(1.02); C1118(0.81); C1127(0.69)  LDD0745  [16]
 LDCM0429  CL4 HCT 116 C2359(1.24); C2369(1.24); C1118(0.96); C1127(0.90)  LDD0746  [16]
 LDCM0430  CL40 HCT 116 C2359(1.45); C2369(0.82); C1118(0.85); C1127(0.82)  LDD0747  [16]
 LDCM0431  CL41 HCT 116 C2359(1.17); C2369(0.79); C1118(0.95); C1127(0.88)  LDD0748  [16]
 LDCM0432  CL42 HCT 116 C2359(1.59); C2369(0.65); C1118(1.09); C1127(0.82)  LDD0749  [16]
 LDCM0433  CL43 HCT 116 C2359(1.66); C2369(0.81); C1118(0.86); C1127(0.70)  LDD0750  [16]
 LDCM0434  CL44 HCT 116 C2359(1.29); C2369(0.71); C1118(0.88); C1127(0.83)  LDD0751  [16]
 LDCM0435  CL45 HCT 116 C2359(1.39); C2369(0.84); C1118(0.82); C1127(0.71)  LDD0752  [16]
 LDCM0436  CL46 HCT 116 C2359(3.11); C2369(3.11); C1118(1.16); C1127(1.08)  LDD0753  [16]
 LDCM0437  CL47 HCT 116 C2359(1.61); C2369(1.61); C1118(1.25); C1127(1.22)  LDD0754  [16]
 LDCM0438  CL48 HCT 116 C2359(3.04); C2369(3.04); C1118(1.19); C1127(1.24)  LDD0755  [16]
 LDCM0439  CL49 HCT 116 C2359(3.56); C2369(3.56); C1118(0.98); C1127(0.96)  LDD0756  [16]
 LDCM0440  CL5 HCT 116 C2359(0.92); C2369(0.92); C1118(1.05); C1127(1.12)  LDD0757  [16]
 LDCM0441  CL50 HCT 116 C2359(2.32); C2369(2.32); C1118(1.09); C1127(1.10)  LDD0758  [16]
 LDCM0442  CL51 HCT 116 C2359(2.36); C2369(2.36); C1118(1.12); C1127(1.24)  LDD0759  [16]
 LDCM0443  CL52 HCT 116 C2359(1.80); C2369(1.80); C1118(1.24); C1127(1.24)  LDD0760  [16]
 LDCM0444  CL53 HCT 116 C2359(2.85); C2369(2.85); C1118(1.13); C1127(1.15)  LDD0761  [16]
 LDCM0445  CL54 HCT 116 C2359(3.33); C2369(3.33); C1118(1.00); C1127(0.95)  LDD0762  [16]
 LDCM0446  CL55 HCT 116 C2359(3.14); C2369(3.14); C1118(1.31); C1127(1.35)  LDD0763  [16]
 LDCM0447  CL56 HCT 116 C2359(1.29); C2369(1.29); C1118(1.05); C1127(1.06)  LDD0764  [16]
 LDCM0448  CL57 HCT 116 C2359(1.84); C2369(1.84); C1118(1.15); C1127(1.06)  LDD0765  [16]
 LDCM0449  CL58 HCT 116 C2359(2.06); C2369(2.06); C1118(1.19); C1127(1.29)  LDD0766  [16]
 LDCM0450  CL59 HCT 116 C2359(1.61); C2369(1.61); C1118(1.13); C1127(1.18)  LDD0767  [16]
 LDCM0451  CL6 HCT 116 C2359(0.60); C2369(0.60); C1118(0.92); C1127(0.86)  LDD0768  [16]
 LDCM0452  CL60 HCT 116 C2359(1.70); C2369(1.70); C1118(1.01); C1127(1.03)  LDD0769  [16]
 LDCM0453  CL61 HCT 116 C2359(0.77); C2369(0.77); C1118(1.01); C1127(0.90)  LDD0770  [16]
 LDCM0454  CL62 HCT 116 C2359(1.06); C2369(1.06); C1118(0.89); C1127(0.85)  LDD0771  [16]
 LDCM0455  CL63 HCT 116 C2359(0.93); C2369(0.93); C1118(0.89); C1127(0.85)  LDD0772  [16]
 LDCM0456  CL64 HCT 116 C2359(0.93); C2369(0.93); C1118(0.75); C1127(0.70)  LDD0773  [16]
 LDCM0457  CL65 HCT 116 C2359(0.88); C2369(0.88); C1118(0.95); C1127(0.90)  LDD0774  [16]
 LDCM0458  CL66 HCT 116 C2359(0.75); C2369(0.75); C1118(0.70); C1127(0.65)  LDD0775  [16]
 LDCM0459  CL67 HCT 116 C2359(0.77); C2369(0.77); C1118(0.78); C1127(0.82)  LDD0776  [16]
 LDCM0460  CL68 HCT 116 C2359(0.83); C2369(0.83); C1118(0.88); C1127(0.79)  LDD0777  [16]
 LDCM0461  CL69 HCT 116 C2359(1.08); C2369(1.08); C1118(0.83); C1127(0.74)  LDD0778  [16]
 LDCM0462  CL7 HCT 116 C2359(0.56); C2369(0.56); C1118(0.90); C1127(0.86)  LDD0779  [16]
 LDCM0463  CL70 HCT 116 C2359(0.71); C2369(0.71); C1118(0.91); C1127(0.91)  LDD0780  [16]
 LDCM0464  CL71 HCT 116 C2359(1.00); C2369(1.00); C1118(0.92); C1127(0.89)  LDD0781  [16]
 LDCM0465  CL72 HCT 116 C2359(1.43); C2369(1.43); C1118(1.11); C1127(1.12)  LDD0782  [16]
 LDCM0466  CL73 HCT 116 C2359(1.17); C2369(1.17); C1118(0.82); C1127(0.76)  LDD0783  [16]
 LDCM0467  CL74 HCT 116 C2359(0.75); C2369(0.75); C1118(0.89); C1127(0.87)  LDD0784  [16]
 LDCM0469  CL76 HCT 116 C2359(0.70); C2369(0.70); C1118(1.01); C1127(0.83)  LDD0786  [16]
 LDCM0470  CL77 HCT 116 C2359(4.39); C2369(4.39); C1118(1.01); C1127(0.91)  LDD0787  [16]
 LDCM0471  CL78 HCT 116 C2359(0.82); C2369(0.82); C1118(1.06); C1127(0.90)  LDD0788  [16]
 LDCM0472  CL79 HCT 116 C2359(0.84); C2369(0.84); C1118(0.88); C1127(0.63)  LDD0789  [16]
 LDCM0473  CL8 HCT 116 C2359(0.76); C2369(0.76); C1118(0.96); C1127(0.69)  LDD0790  [16]
 LDCM0474  CL80 HCT 116 C2359(1.06); C2369(1.06); C1118(1.04); C1127(0.86)  LDD0791  [16]
 LDCM0475  CL81 HCT 116 C2359(0.75); C2369(0.75); C1118(1.02); C1127(0.81)  LDD0792  [16]
 LDCM0476  CL82 HCT 116 C2359(0.50); C2369(0.50); C1118(0.92); C1127(0.65)  LDD0793  [16]
 LDCM0477  CL83 HCT 116 C2359(0.63); C2369(0.63); C1118(0.92); C1127(0.64)  LDD0794  [16]
 LDCM0478  CL84 HCT 116 C2359(0.69); C2369(0.69); C1118(0.95); C1127(0.56)  LDD0795  [16]
 LDCM0479  CL85 HCT 116 C2359(0.62); C2369(0.62); C1118(1.06); C1127(0.82)  LDD0796  [16]
 LDCM0480  CL86 HCT 116 C2359(0.88); C2369(0.88); C1118(1.29); C1127(1.13)  LDD0797  [16]
 LDCM0481  CL87 HCT 116 C2359(0.70); C2369(0.70); C1118(1.03); C1127(0.86)  LDD0798  [16]
 LDCM0482  CL88 HCT 116 C2359(0.80); C2369(0.80); C1118(0.89); C1127(0.70)  LDD0799  [16]
 LDCM0483  CL89 HCT 116 C2359(0.35); C2369(0.35); C1118(1.02); C1127(0.72)  LDD0800  [16]
 LDCM0484  CL9 HCT 116 C2359(1.15); C2369(1.15); C1118(0.87); C1127(0.90)  LDD0801  [16]
 LDCM0485  CL90 HCT 116 C2359(0.98); C2369(0.98); C1118(1.04); C1127(0.91)  LDD0802  [16]
 LDCM0486  CL91 HCT 116 C2359(0.44); C2369(0.44); C1118(1.03); C1127(0.88)  LDD0803  [16]
 LDCM0487  CL92 HCT 116 C2359(0.63); C2369(0.63); C1118(1.03); C1127(0.85)  LDD0804  [16]
 LDCM0488  CL93 HCT 116 C2359(0.98); C2369(0.98); C1118(0.99); C1127(0.99)  LDD0805  [16]
 LDCM0489  CL94 HCT 116 C2359(0.67); C2369(0.67); C1118(1.04); C1127(0.85)  LDD0806  [16]
 LDCM0490  CL95 HCT 116 C2359(0.52); C2369(0.52); C1118(0.92); C1127(0.76)  LDD0807  [16]
 LDCM0491  CL96 HCT 116 C2359(0.57); C2369(0.57); C1118(0.99); C1127(0.83)  LDD0808  [16]
 LDCM0492  CL97 HCT 116 C2359(0.63); C2369(0.63); C1118(0.88); C1127(0.73)  LDD0809  [16]
 LDCM0493  CL98 HCT 116 C2359(0.41); C2369(0.41); C1118(0.95); C1127(0.79)  LDD0810  [16]
 LDCM0494  CL99 HCT 116 C2359(0.52); C2369(0.52); C1118(1.04); C1127(0.88)  LDD0811  [16]
 LDCM0634  CY-0357 Hep-G2 C1759(2.43); C2202(0.93); C212(0.82); C1141(0.67)  LDD2228  [25]
 LDCM0495  E2913 HEK-293T C1759(0.94); C1881(1.01); C223(1.03); C1186(0.93)  LDD1698  [45]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C2273(2.04); C313(1.97); C1759(1.69); C1127(1.18)  LDD1702  [42]
 LDCM0031  Epigallocatechin gallate HEK-293T 10.12  LDD0183  [10]
 LDCM0175  Ethacrynic acid HeLa C1448(1.18)  LDD2210  [12]
 LDCM0203  EV-96 T cell C1558(5.39)  LDD0523  [46]
 LDCM0625  F8 Ramos C1881(1.77); C223(1.17); C1141(0.71); C212(1.09)  LDD2187  [47]
 LDCM0572  Fragment10 Ramos C1881(0.78); C223(0.43); C1141(0.60); C212(0.78)  LDD2189  [47]
 LDCM0573  Fragment11 Ramos C1881(1.38); C223(0.43); C1141(2.26); C212(0.11)  LDD2190  [47]
 LDCM0574  Fragment12 Ramos C1881(0.81); C223(0.41); C1141(0.60); C212(0.81)  LDD2191  [47]
 LDCM0575  Fragment13 Ramos C1881(1.00); C223(0.82); C1141(0.96); C212(1.08)  LDD2192  [47]
 LDCM0576  Fragment14 Ramos C1881(1.09); C223(1.48); C1141(0.60); C212(0.89)  LDD2193  [47]
 LDCM0579  Fragment20 Ramos C1881(0.75); C223(0.41); C1141(0.57); C212(0.77)  LDD2194  [47]
 LDCM0580  Fragment21 Ramos C1881(1.08); C223(0.82); C1141(0.96); C212(1.04)  LDD2195  [47]
 LDCM0582  Fragment23 Ramos C1881(0.43); C223(0.89); C1141(0.95); C212(1.22)  LDD2196  [47]
 LDCM0578  Fragment27 Ramos C1881(1.16); C223(0.83); C1141(1.07); C212(0.99)  LDD2197  [47]
 LDCM0586  Fragment28 Ramos C1881(0.75); C223(0.78); C1141(0.71); C212(0.55)  LDD2198  [47]
 LDCM0588  Fragment30 Ramos C1881(1.71); C223(0.84); C1141(1.23); C212(1.43)  LDD2199  [47]
 LDCM0589  Fragment31 Ramos C1881(1.28); C223(1.04); C1141(1.51); C212(1.37)  LDD2200  [47]
 LDCM0590  Fragment32 Ramos C1881(1.05); C223(0.44); C1141(0.58); C212(0.75)  LDD2201  [47]
 LDCM0468  Fragment33 HCT 116 C2359(0.78); C2369(0.78); C1118(0.96); C1127(0.90)  LDD0785  [16]
 LDCM0596  Fragment38 Ramos C1881(1.91); C223(0.77); C1141(1.16); C212(0.97)  LDD2203  [47]
 LDCM0566  Fragment4 Ramos C1881(0.75); C223(0.81); C1141(0.83); C212(0.81)  LDD2184  [47]
 LDCM0427  Fragment51 HCT 116 C2359(1.58); C2369(0.90); C1118(0.87); C1127(0.68)  LDD0744  [16]
 LDCM0610  Fragment52 Ramos C1881(1.93); C223(1.04); C1141(1.43); C212(1.32)  LDD2204  [47]
 LDCM0614  Fragment56 Ramos C1881(1.27); C223(0.99); C1141(1.31); C212(1.31)  LDD2205  [47]
 LDCM0569  Fragment7 Ramos C1881(0.78); C223(0.67); C1141(0.69); C212(0.72)  LDD2186  [47]
 LDCM0571  Fragment9 Ramos C1881(0.64); C223(0.40); C1141(0.54); C212(0.71)  LDD2188  [47]
 LDCM0116  HHS-0101 DM93 Y1506(0.46); Y130(0.77); Y2269(0.79); Y2034(0.87)  LDD0264  [14]
 LDCM0117  HHS-0201 DM93 Y1506(0.54); Y2454(0.69); Y130(0.72); Y2034(0.78)  LDD0265  [14]
 LDCM0118  HHS-0301 DM93 Y1506(0.31); Y1253(0.33); Y2454(0.69); Y2034(0.75)  LDD0266  [14]
 LDCM0119  HHS-0401 DM93 Y1506(0.50); Y2454(0.73); Y2034(0.81); Y130(0.87)  LDD0267  [14]
 LDCM0120  HHS-0701 DM93 Y1506(0.63); Y2034(0.93); Y1047(1.02); Y130(1.12)  LDD0268  [14]
 LDCM0015  HNE MDA-MB-231 C1448(1.32); 1.32  LDD0346  [47]
 LDCM0107  IAA HeLa C2468(0.00); H1004(0.00); H804(0.00); H293(0.00)  LDD0221  [32]
 LDCM0123  JWB131 DM93 Y1047(1.41); Y1253(1.44); Y130(1.05); Y1842(0.86)  LDD0285  [13]
 LDCM0124  JWB142 DM93 Y1047(1.01); Y1253(0.36); Y130(0.84); Y1842(0.43)  LDD0286  [13]
 LDCM0125  JWB146 DM93 Y1047(1.42); Y1253(0.91); Y130(0.92); Y1842(0.85)  LDD0287  [13]
 LDCM0126  JWB150 DM93 Y1047(4.35); Y1253(4.89); Y130(3.52); Y1842(2.64)  LDD0288  [13]
 LDCM0127  JWB152 DM93 Y1047(2.35); Y1253(1.24); Y130(1.79); Y1842(2.11)  LDD0289  [13]
 LDCM0128  JWB198 DM93 Y1047(1.58); Y1253(1.22); Y130(1.25); Y1842(0.94)  LDD0290  [13]
 LDCM0129  JWB202 DM93 Y1047(0.78); Y1253(0.25); Y130(0.69); Y1842(0.52)  LDD0291  [13]
 LDCM0130  JWB211 DM93 Y1047(1.30); Y1253(0.86); Y130(1.39); Y1842(1.13)  LDD0292  [13]
 LDCM0179  JZ128 PC-3 N.A.  LDD0462  [9]
 LDCM0022  KB02 HCT 116 C1558(8.52); C1564(8.52); C1118(1.56); C1127(1.56)  LDD0080  [16]
 LDCM0023  KB03 HCT 116 C1558(4.78); C1564(4.78); C1118(3.66); C1127(3.66)  LDD0081  [16]
 LDCM0024  KB05 HCT 116 C1558(4.55); C1564(4.55); C1118(2.77); C1127(2.77)  LDD0082  [16]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C2202(0.93); C1881(0.83)  LDD2102  [42]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C1759(1.00); C2202(0.72); C313(0.70); C1881(0.67)  LDD2121  [42]
 LDCM0109  NEM HeLa H293(0.00); H104(0.00); H723(0.00); H1004(0.00)  LDD0223  [32]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C1759(1.11); C2202(0.83); C313(0.56); C1881(0.49)  LDD2089  [42]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C1759(1.06); C313(1.44); C1881(1.18); C1186(1.40)  LDD2090  [42]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C1881(0.97); C1548(0.72); C779(1.41); C1471(1.16)  LDD2092  [42]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C2202(0.93); C313(0.98); C1881(1.40); C1186(1.22)  LDD2093  [42]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C1881(1.00); C1828(2.07)  LDD2094  [42]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C1759(0.34); C1141(0.47)  LDD2096  [42]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C313(0.65); C779(0.64)  LDD2097  [42]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C313(0.92); C1881(0.72); C1548(0.70); C779(0.98)  LDD2098  [42]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C1759(1.46); C2202(0.91); C313(0.89); C223(1.58)  LDD2099  [42]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C1759(0.52); C313(0.38); C1881(0.64); C1186(0.39)  LDD2100  [42]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C2202(0.64); C313(1.44); C1118(1.03)  LDD2101  [42]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C1759(0.80); C1881(0.90); C1186(0.57); C1548(0.55)  LDD2104  [42]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C2202(1.05); C1881(1.14); C1186(1.73); C1127(1.39)  LDD2105  [42]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C1759(0.71); C2202(0.75); C1186(0.94); C1141(0.36)  LDD2106  [42]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C1759(1.10); C2202(0.84); C313(0.96); C1881(0.87)  LDD2107  [42]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C1759(1.05); C313(0.48); C1881(0.93); C1186(0.38)  LDD2108  [42]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C1759(0.92); C2202(1.03); C313(0.42); C1881(0.85)  LDD2109  [42]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C1759(0.73); C1881(1.10); C779(0.44)  LDD2110  [42]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C2202(0.83); C1881(1.15); C223(1.57); C1186(1.46)  LDD2111  [42]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C1759(0.46); C2202(0.52)  LDD2114  [42]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C313(0.49); C223(1.13); C1186(0.42); C212(0.70)  LDD2115  [42]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C779(0.71)  LDD2116  [42]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C212(0.34); C1141(0.17)  LDD2118  [42]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C1759(2.02); C313(2.80); C1881(2.86); C223(2.88)  LDD2119  [42]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C1759(0.39); C2202(1.04); C313(0.86); C1881(0.84)  LDD2120  [42]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C1759(0.68); C1141(0.21)  LDD2122  [42]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C1759(1.06); C2202(0.89); C1881(1.16); C223(1.06)  LDD2123  [42]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C2202(0.96); C1141(0.13)  LDD2124  [42]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C1759(1.08); C2202(0.97); C1881(0.97); C223(1.09)  LDD2125  [42]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C313(1.60); C212(0.38); C1141(0.59); C1828(0.88)  LDD2126  [42]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C1759(1.34); C2202(1.00); C313(0.95); C1881(1.29)  LDD2127  [42]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C1759(0.57); C313(0.79); C1881(0.99); C1186(1.09)  LDD2128  [42]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C1759(1.59); C2202(0.95); C313(1.10); C1881(1.28)  LDD2129  [42]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C313(0.68); C1881(0.72); C1186(0.52); C212(0.76)  LDD2133  [42]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C2202(0.46); C313(0.39); C223(0.54); C1118(0.90)  LDD2134  [42]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C2202(0.99); C313(1.43); C1881(1.20); C1186(2.27)  LDD2135  [42]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C1759(1.53); C2202(1.18); C313(1.13); C1881(1.17)  LDD2136  [42]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C1759(1.00); C2202(0.81); C1881(1.20); C223(1.16)  LDD2137  [42]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C1186(3.81); C779(3.13); C313(1.93); C212(1.71)  LDD1700  [42]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C1759(1.13); C2202(0.72); C313(0.65); C1881(0.77)  LDD2140  [42]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C1759(0.59); C2202(0.85); C313(0.37); C1881(0.69)  LDD2141  [42]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C1759(0.43); C313(0.97); C1881(1.02); C1186(0.92)  LDD2143  [42]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C1759(1.79); C2202(2.46); C313(2.32); C1881(1.95)  LDD2144  [42]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C1759(1.50); C1186(1.77)  LDD2145  [42]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C1759(1.12); C2202(0.97); C313(0.85); C1881(1.04)  LDD2146  [42]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C313(3.48); C1881(4.24); C1186(2.07); C1118(0.34)  LDD2147  [42]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C1759(0.58); C2202(0.52); C313(0.53); C1186(0.45)  LDD2148  [42]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C1759(0.82); C2202(0.61); C313(0.56); C1881(0.32)  LDD2150  [42]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C2202(1.29); C1881(1.82); C1186(1.75)  LDD2153  [42]
 LDCM0627  NUDT7-COV-1 HEK-293T C1558(0.96); C1448(0.73); C1448(0.71); C1558(0.41)  LDD2206  [48]
 LDCM0018  Orlistat Hep-G2 N.A.  LDD0077  [34]
 LDCM0628  OTUB2-COV-1 HEK-293T C212(1.21); C1558(0.97); C223(0.83); C1558(0.82)  LDD2207  [48]
 LDCM0131  RA190 MM1.R C1448(1.19); C2202(0.53)  LDD0304  [49]
 LDCM0021  THZ1 HeLa S3 C212(1.14); C2468(1.17); C2202(1.13); C1141(1.05)  LDD0460  [9]
 LDCM0110  W12 Hep-G2 C1186(7.71)  LDD0237  [33]
 LDCM0111  W14 Hep-G2 Q63(1.15); R1775(1.17); N1261(1.19); S2407(1.20)  LDD0238  [33]
 LDCM0113  W17 Hep-G2 C1992(0.50); C1448(0.70); C1186(1.73); C2202(3.68)  LDD0240  [33]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Purine nucleoside phosphorylase LACC1 (LACC1) Purine nucleoside phosphorylase YfiH/LACC1 family Q8IV20
E3 ubiquitin-protein ligase LNX (LNX1) . Q8TBB1
Transporter and channel
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Huntingtin (HTT) Huntingtin family P42858
Adiponectin (ADIPOQ) . Q15848

The Drug(s) Related To This Target

Approved
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Cerulenin Small molecular drug D03ZFG
Orlistat Small molecular drug DB01083
Phase 3
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Epigallocatechin Gallate Small molecular drug D0U2BH
Phase 2
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Tvb-2640 . D0K9BV
Preclinical
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Fas1 . D04RSI
Fsa2 . D0R2SW
Investigative
Click To Hide/Show 14 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Anti-fas Mabs Antibody D07WAF
(-)-catechingallate Small molecular drug D0RB1V
2-hexadecynoic Acid Small molecular drug D05HRK
3,7,3',4'-tetrahydroxyflavone Small molecular drug D0MF5Y
4-hydroxy-6-nitro-3-phenylquinolin-2(1h)-one Small molecular drug D0QP7C
4-hydroxy-8-nitro-3-phenylquinolin-2(1h)-one Small molecular drug D0BY6E
Biochanin A Small molecular drug D0S9YX
C75 Small molecular drug D07MXA
Gallocatechin Gallate Small molecular drug D07KXK
Gsk2194069 Small molecular drug D03VGO
Morin Small molecular drug D0NJ4H
Fas-031 . D0X6AU
Mg-28 . D09IGF
Mt-061 . D06SYA

References

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2 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
3 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
4 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
5 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
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Mass spectrometry data entry: PXD028270
7 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
8 An Azo Coupling-Based Chemoproteomic Approach to Systematically Profile the Tyrosine Reactivity in the Human Proteome. Anal Chem. 2021 Jul 27;93(29):10334-10342. doi: 10.1021/acs.analchem.1c01935. Epub 2021 Jul 12.
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10 A chemical probe unravels the reactive proteome of health-associated catechols. Chem Sci. 2023 Jul 22;14(32):8635-8643. doi: 10.1039/d3sc00888f. eCollection 2023 Aug 16.
Mass spectrometry data entry: PXD043348
11 Chemoproteomic capture of RNA binding activity in living cells. Nat Commun. 2023 Oct 7;14(1):6282. doi: 10.1038/s41467-023-41844-z.
Mass spectrometry data entry: PXD044625
12 Chemoproteomic Profiling Reveals Ethacrynic Acid Targets Adenine Nucleotide Translocases to Impair Mitochondrial Function. Mol Pharm. 2018 Jun 4;15(6):2413-2422. doi: 10.1021/acs.molpharmaceut.8b00250. Epub 2018 May 15.
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15 Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
16 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
17 Global profiling of functional histidines in live cells using small-molecule photosensitizer and chemical probe relay labelling. Nat Chem. 2024 Jun 4. doi: 10.1038/s41557-024-01545-6. Online ahead of print.
Mass spectrometry data entry: PXD042377
18 Targeted Proteomic Approaches for Proteome-Wide Characterizations of the AMP-Binding Capacities of Kinases. J Proteome Res. 2022 Aug 5;21(8):2063-2070. doi: 10.1021/acs.jproteome.2c00225. Epub 2022 Jul 12.
19 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
20 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
21 SP3-Enabled Rapid and High Coverage Chemoproteomic Identification of Cell-State-Dependent Redox-Sensitive Cysteines. Mol Cell Proteomics. 2022 Apr;21(4):100218. doi: 10.1016/j.mcpro.2022.100218. Epub 2022 Feb 25.
Mass spectrometry data entry: PXD029500 , PXD031647
22 Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22.
Mass spectrometry data entry: PXD006095 , PXD006096
23 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
24 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
25 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
26 Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112107. doi: 10.1002/anie.202112107. Epub 2021 Dec 16.
27 Multiplexed CuAAC Suzuki-Miyaura Labeling for Tandem Activity-Based Chemoproteomic Profiling. Anal Chem. 2021 Feb 2;93(4):2610-2618. doi: 10.1021/acs.analchem.0c04726. Epub 2021 Jan 20.
Mass spectrometry data entry: PXD022279
28 Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows. bioRxiv [Preprint]. 2023 Feb 18:2023.02.17.529022. doi: 10.1101/2023.02.17.529022.
Mass spectrometry data entry: PXD039931
29 Site-Specific Activity-Based Protein Profiling Using Phosphonate Handles. Mol Cell Proteomics. 2023 Jan;22(1):100455. doi: 10.1016/j.mcpro.2022.100455. Epub 2022 Nov 24.
Mass spectrometry data entry: PXD036569
30 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
31 Oxidative cyclization reagents reveal tryptophan cation- interactions. Nature. 2024 Mar;627(8004):680-687. doi: 10.1038/s41586-024-07140-6. Epub 2024 Mar 6.
Mass spectrometry data entry: PXD001377 , PXD005252
32 ACR-Based Probe for the Quantitative Profiling of Histidine Reactivity in the Human Proteome. J Am Chem Soc. 2023 Mar 8;145(9):5252-5260. doi: 10.1021/jacs.2c12653. Epub 2023 Feb 27.
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34 Activity-based proteome profiling of potential cellular targets of Orlistat--an FDA-approved drug with anti-tumor activities. J Am Chem Soc. 2010 Jan 20;132(2):656-66. doi: 10.1021/ja907716f.
35 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587
36 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
37 Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
38 Evaluation of fully-functionalized diazirine tags for chemical proteomic applications. Chem Sci. 2021 May 7;12(22):7839-7847. doi: 10.1039/d1sc01360b.
Mass spectrometry data entry: PXD025652
39 Cell-based proteome profiling of potential dasatinib targets by use of affinity-based probes. J Am Chem Soc. 2012 Feb 15;134(6):3001-14. doi: 10.1021/ja208518u. Epub 2012 Feb 1.
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Mass spectrometry data entry: PXD007570
41 Proteome profiling reveals potential cellular targets of staurosporine using a clickable cell-permeable probe. Chem Commun (Camb). 2011 Oct 28;47(40):11306-8. doi: 10.1039/c1cc14824a. Epub 2011 Sep 16.
42 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
43 Covalent Inhibition by a Natural Product-Inspired Latent Electrophile. J Am Chem Soc. 2023 May 24;145(20):11097-11109. doi: 10.1021/jacs.3c00598. Epub 2023 May 15.
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Mass spectrometry data entry: PXD044402
46 An Activity-Guided Map of Electrophile-Cysteine Interactions in Primary Human T Cells. Cell. 2020 Aug 20;182(4):1009-1026.e29. doi: 10.1016/j.cell.2020.07.001. Epub 2020 Jul 29.
47 Site-specific quantitative cysteine profiling with data-independent acquisition-based mass spectrometry. Methods Enzymol. 2023;679:295-322. doi: 10.1016/bs.mie.2022.07.037. Epub 2022 Sep 7.
Mass spectrometry data entry: PXD027578
48 Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening. J Am Chem Soc. 2019 Jun 5;141(22):8951-8968. doi: 10.1021/jacs.9b02822. Epub 2019 May 22.
49 Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.