Details of the Target

General Information of Target

Target ID LDTP13156
Target Name SUMO-activating enzyme subunit 2 (UBA2)
Gene Name UBA2
Gene ID 10054
Synonyms
SAE2; UBLE1B; SUMO-activating enzyme subunit 2; EC 2.3.2.-; Anthracycline-associated resistance ARX; Ubiquitin-like 1-activating enzyme E1B; Ubiquitin-like modifier-activating enzyme 2
3D Structure
Download
2D Sequence (FASTA)
Download
3D Structure (PDB)
Download
Sequence
MKKHRRALALVSCLFLCSLVWLPSWRVCCKESSSASASSYYSQDDNCALENEDVQFQKKD
EREGPINAESLGKSGSNLPISPKEHKLKDDSIVDVQNTESKKLSPPVVETLPTVDLHEES
SNAVVDSETVENISSSSTSEITPISKLDEIEKSGTIPIAKPSETEQSETDCDVGEALDAS
APIEQPSFVSPPDSLVGQHIENVSSSHGKGKITKSEFESKVSASEQGGGDPKSALNASDN
LKNESSDYTKPGDIDPTSVASPKDPEDIPTFDEWKKKVMEVEKEKSQSMHASSNGGSHAT
KKVQKNRNNYASVECGAKILAANPEAKSTSAILIENMDLYMLNPCSTKIWFVIELCEPIQ
VKQLDIANYELFSSTPKDFLVSISDRYPTNKWIKLGTFHGRDERNVQSFPLDEQMYAKYV
KMFIKYIKVELLSHFGSEHFCPLSLIRVFGTSMVEEYEEIADSQYHSERQELFDEDYDYP
LDYNTGEDKSSKNLLGSATNAILNMVNIAANILGAKTEDLTEGNKSISENATATAAPKMP
ESTPVSTPVPSPEYVTTEVHTHDMEPSTPDTPKESPIVQLVQEEEEEASPSTVTLLGSGE
QEDESSPWFESETQIFCSELTTICCISSFSEYIYKWCSVRVALYRQRSRTALSKGKDYLV
LAQPPLLLPAESVDVSVLQPLSGELENTNIEREAETVVLGDLSSSMHQDDLVNHTVDAVE
LEPSHSQTLSQSLLLDITPEINPLPKIEVSESVEYEAGHIPSPVIPQESSVEIDNETEQK
SESFSSIEKPSITYETNKVNELMDNIIKEDVNSMQIFTKLSETIVPPINTATVPDNEDGE
AKMNIADTAKQTLISVVDSSSLPEVKEEEQSPEDALLRGLQRTATDFYAELQNSTDLGYA
NGNLVHGSNQKESVFMRLNNRIKALEVNMSLSGRYLEELSQRYRKQMEEMQKAFNKTIVK
LQNTSRIAEEQDQRQTEAIQLLQAQLTNMTQLVSNLSATVAELKREVSDRQSYLVISLVL
CVVLGLMLCMQRCRNTSQFDGDYISKLPKSNQYPSPKRCFSSYDDMNLKRRTSFPLMRSK
SLQLTGKEVDPNDLYIVEPLKFSPEKKKKRCKYKIEKIETIKPEEPLHPIANGDIKGRKP
FTNQRDFSNMGEVYHSSYKGPPSEGSSETSSQSEESYFCGISACTSLCNGQSQKTKTEKR
ALKRRRSKVQDQGKLIKTLIQTKSGSLPSLHDIIKGNKEITVGTFGVTAVSGHI
Target Bioclass
Enzyme
Family
Ubiquitin-activating E1 family
Subcellular location
Cytoplasm
Function
The heterodimer acts as an E1 ligase for SUMO1, SUMO2, SUMO3, and probably SUMO4. It mediates ATP-dependent activation of SUMO proteins followed by formation of a thioester bond between a SUMO protein and a conserved active site cysteine residue on UBA2/SAE2.
Uniprot ID
Q9UBT2
Ensemble ID
ENST00000246548.9
HGNC ID
HGNC:30661
ChEMBL ID
CHEMBL2095174

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
HEC1 SNV: p.V461D DBIA    Probe Info 
HEC1B SNV: p.V461D IA-alkyne    Probe Info 
HGC27 SNV: p.E199G DBIA    Probe Info 
Ishikawa (Heraklio) 02 ER SNV: p.Q524H DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 39 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		9.68  LDD0402  [1]
A-EBA
 Probe Info  		3.55  LDD0215  [2]
AZ-9
 Probe Info  		4.30  LDD0393  [3]
TH211
 Probe Info  		Y191(20.00); Y159(18.61); Y526(7.81); Y84(7.48)  LDD0257  [4]
TH216
 Probe Info  		Y101(20.00); Y84(9.69)  LDD0259  [4]
STPyne
 Probe Info  		K164(7.50); K324(9.55); K420(10.00); K505(0.74)  LDD0277  [5]
Probe 1
 Probe Info  		Y84(12.56); Y265(4.83)  LDD3495  [6]
BTD
 Probe Info  		C185(0.89)  LDD2089  [7]
DA-P3
 Probe Info  		7.25  LDD0183  [8]
AHL-Pu-1
 Probe Info  		C185(5.95); C161(3.50)  LDD0170  [9]
HHS-482
 Probe Info  		Y84(1.30)  LDD0285  [10]
HHS-475
 Probe Info  		Y159(0.21); Y265(0.73); Y191(0.88)  LDD0264  [11]
HHS-465
 Probe Info  		Y144(9.99); Y159(10.00); Y84(8.63)  LDD2237  [12]
DBIA
 Probe Info  		C158(0.99); C161(0.99); C30(0.92); C432(0.90)  LDD0078  [13]
5E-2FA
 Probe Info  		H93(0.00); H503(0.00); H162(0.00)  LDD2235  [14]
ATP probe
 Probe Info  		K164(0.00); K346(0.00); K409(0.00); K613(0.00)  LDD0199  [15]
4-Iodoacetamidophenylacetylene
 Probe Info  		C129(0.00); C185(0.00); C173(0.00); C30(0.00)  LDD0038  [16]
IA-alkyne
 Probe Info  		C158(0.00); C173(0.00)  LDD0032  [17]
IPIAA_L
 Probe Info  		N.A.  LDD0031  [18]
Lodoacetamide azide
 Probe Info  		C129(0.00); C185(0.00); C173(0.00); C30(0.00)  LDD0037  [16]
JW-RF-010
 Probe Info  		N.A.  LDD0026  [19]
NAIA_4
 Probe Info  		C30(0.00); C158(0.00); C185(0.00); C413(0.00)  LDD2226  [20]
TFBX
 Probe Info  		C161(0.00); C158(0.00); C30(0.00); C413(0.00)  LDD0027  [19]
WYneN
 Probe Info  		C30(0.00); C185(0.00)  LDD0021  [21]
WYneO
 Probe Info  		N.A.  LDD0022  [21]
Compound 10
 Probe Info  		C173(0.00); C185(0.00); C30(0.00)  LDD2216  [22]
Compound 11
 Probe Info  		N.A.  LDD2213  [22]
IPM
 Probe Info  		N.A.  LDD0005  [21]
NHS
 Probe Info  		K253(0.00); K77(0.00); K472(0.00); K324(0.00)  LDD0010  [21]
PF-06672131
 Probe Info  		N.A.  LDD0017  [23]
SF
 Probe Info  		Y84(0.00); Y265(0.00)  LDD0028  [24]
YN-1
 Probe Info  		N.A.  LDD0446  [25]
Ox-W18
 Probe Info  		W284(0.00); W344(0.00)  LDD2175  [26]
1c-yne
 Probe Info  		K245(0.00); K86(0.00); K152(0.00); K472(0.00)  LDD0228  [27]
Acrolein
 Probe Info  		C30(0.00); C173(0.00); H503(0.00); C185(0.00)  LDD0217  [28]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [28]
Methacrolein
 Probe Info  		C173(0.00); C161(0.00); C158(0.00)  LDD0218  [28]
W1
 Probe Info  		C185(0.00); C173(0.00)  LDD0236  [29]
NAIA_5
 Probe Info  		C161(0.00); C158(0.00); C413(0.00); C129(0.00)  LDD2223  [20]
PAL-AfBPP Probe
Click To Hide/Show 4 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe14
 Probe Info  		20.00  LDD0477  [30]
FFF probe9
 Probe Info  		5.78  LDD0470  [30]
STS-2
 Probe Info  		N.A.  LDD0139  [31]
VE-P
 Probe Info  		N.A.  LDD0396  [32]

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 C30(0.97)  LDD2142  [7]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C185(0.94); C30(0.65)  LDD2112  [7]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C173(0.99); C185(1.09)  LDD2117  [7]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C185(0.66)  LDD2132  [7]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C185(1.00)  LDD2131  [7]
 LDCM0025  4SU-RNA DM93 C185(5.95); C161(3.50)  LDD0170  [9]
 LDCM0026  4SU-RNA+native RNA DM93 C185(4.52); C161(2.80)  LDD0171  [9]
 LDCM0214  AC1 HCT 116 C158(0.96); C161(0.96); C173(1.19); C185(0.96)  LDD0531  [13]
 LDCM0215  AC10 HCT 116 C158(0.79); C161(0.79); C173(1.02); C185(0.96)  LDD0532  [13]
 LDCM0216  AC100 HCT 116 C158(1.01); C161(1.01); C173(0.89); C185(0.57)  LDD0533  [13]
 LDCM0217  AC101 HCT 116 C158(0.82); C161(0.82); C173(1.09); C185(0.56)  LDD0534  [13]
 LDCM0218  AC102 HCT 116 C158(0.77); C161(0.77); C173(1.00); C185(0.66)  LDD0535  [13]
 LDCM0219  AC103 HCT 116 C158(0.66); C161(0.66); C173(1.13); C185(0.49)  LDD0536  [13]
 LDCM0220  AC104 HCT 116 C158(0.90); C161(0.90); C173(1.01); C185(0.69)  LDD0537  [13]
 LDCM0221  AC105 HCT 116 C158(0.69); C161(0.69); C173(1.20); C185(0.58)  LDD0538  [13]
 LDCM0222  AC106 HCT 116 C158(0.77); C161(0.77); C173(1.22); C185(0.49)  LDD0539  [13]
 LDCM0223  AC107 HCT 116 C158(0.68); C161(0.73); C173(1.09); C185(0.52)  LDD0540  [13]
 LDCM0224  AC108 HCT 116 C158(0.73); C161(0.74); C173(0.97); C185(0.48)  LDD0541  [13]
 LDCM0225  AC109 HCT 116 C158(0.98); C161(0.92); C173(1.04); C185(0.65)  LDD0542  [13]
 LDCM0226  AC11 HCT 116 C158(0.71); C161(0.71); C173(0.97); C185(0.97)  LDD0543  [13]
 LDCM0227  AC110 HCT 116 C158(0.98); C161(0.95); C173(1.04); C185(0.50)  LDD0544  [13]
 LDCM0228  AC111 HCT 116 C158(0.72); C161(0.73); C173(0.99); C185(0.51)  LDD0545  [13]
 LDCM0229  AC112 HCT 116 C158(0.71); C161(0.75); C173(1.10); C185(0.51)  LDD0546  [13]
 LDCM0230  AC113 HCT 116 C158(1.05); C161(1.05); C173(1.02); C185(1.10)  LDD0547  [13]
 LDCM0231  AC114 HCT 116 C158(1.07); C161(1.03); C173(1.17); C185(0.77)  LDD0548  [13]
 LDCM0232  AC115 HCT 116 C158(0.88); C161(0.84); C173(1.39); C185(0.87)  LDD0549  [13]
 LDCM0233  AC116 HCT 116 C158(0.95); C161(0.93); C173(1.21); C185(0.89)  LDD0550  [13]
 LDCM0234  AC117 HCT 116 C158(0.99); C161(0.97); C173(1.10); C185(0.93)  LDD0551  [13]
 LDCM0235  AC118 HCT 116 C158(1.03); C161(1.00); C173(1.06); C185(0.97)  LDD0552  [13]
 LDCM0236  AC119 HCT 116 C158(1.00); C161(0.98); C173(1.15); C185(0.99)  LDD0553  [13]
 LDCM0237  AC12 HCT 116 C158(0.76); C161(0.76); C173(0.89); C185(1.30)  LDD0554  [13]
 LDCM0238  AC120 HCT 116 C158(1.04); C161(1.01); C173(1.14); C185(0.84)  LDD0555  [13]
 LDCM0239  AC121 HCT 116 C158(0.96); C161(0.91); C173(1.03); C185(1.13)  LDD0556  [13]
 LDCM0240  AC122 HCT 116 C158(0.91); C161(0.89); C173(1.07); C185(0.87)  LDD0557  [13]
 LDCM0241  AC123 HCT 116 C158(1.17); C161(1.12); C173(1.01); C185(1.13)  LDD0558  [13]
 LDCM0242  AC124 HCT 116 C158(1.21); C161(1.16); C173(1.04); C185(1.15)  LDD0559  [13]
 LDCM0243  AC125 HCT 116 C158(1.11); C161(1.05); C173(1.08); C185(0.85)  LDD0560  [13]
 LDCM0244  AC126 HCT 116 C158(1.03); C161(0.99); C173(1.19); C185(0.92)  LDD0561  [13]
 LDCM0245  AC127 HCT 116 C158(0.95); C161(0.92); C173(1.05); C185(0.99)  LDD0562  [13]
 LDCM0246  AC128 HCT 116 C158(0.97); C161(0.97); C173(0.83); C185(0.70)  LDD0563  [13]
 LDCM0247  AC129 HCT 116 C158(1.24); C161(1.24); C173(0.98); C185(0.66)  LDD0564  [13]
 LDCM0249  AC130 HCT 116 C158(0.92); C161(0.92); C173(0.94); C185(0.52)  LDD0566  [13]
 LDCM0250  AC131 HCT 116 C158(1.44); C161(1.44); C173(0.89); C185(0.57)  LDD0567  [13]
 LDCM0251  AC132 HCT 116 C158(0.94); C161(0.94); C173(0.96); C185(0.39)  LDD0568  [13]
 LDCM0252  AC133 HCT 116 C158(0.96); C161(0.96); C173(0.98); C185(0.52)  LDD0569  [13]
 LDCM0253  AC134 HCT 116 C158(0.92); C161(0.92); C173(0.93); C185(0.38)  LDD0570  [13]
 LDCM0254  AC135 HCT 116 C158(0.82); C161(0.82); C173(0.93); C185(0.44)  LDD0571  [13]
 LDCM0255  AC136 HCT 116 C158(0.75); C161(0.75); C173(0.98); C185(0.42)  LDD0572  [13]
 LDCM0256  AC137 HCT 116 C158(0.89); C161(0.89); C173(0.95); C185(0.40)  LDD0573  [13]
 LDCM0257  AC138 HCT 116 C158(0.77); C161(0.77); C173(1.00); C185(0.31)  LDD0574  [13]
 LDCM0258  AC139 HCT 116 C158(0.82); C161(0.82); C173(0.87); C185(0.28)  LDD0575  [13]
 LDCM0259  AC14 HCT 116 C158(0.91); C161(0.91); C173(0.86); C185(1.15)  LDD0576  [13]
 LDCM0260  AC140 HCT 116 C158(0.72); C161(0.72); C173(1.02); C185(0.29)  LDD0577  [13]
 LDCM0261  AC141 HCT 116 C158(0.75); C161(0.75); C173(1.02); C185(0.30)  LDD0578  [13]
 LDCM0262  AC142 HCT 116 C158(0.69); C161(0.69); C173(1.00); C185(0.42)  LDD0579  [13]
 LDCM0263  AC143 HCT 116 C185(0.84); C158(0.93); C161(0.93); C30(1.09)  LDD0580  [13]
 LDCM0264  AC144 HCT 116 C185(0.78); C161(0.83); C158(0.89); C30(0.94)  LDD0581  [13]
 LDCM0265  AC145 HCT 116 C161(0.81); C185(0.82); C158(0.87); C30(0.97)  LDD0582  [13]
 LDCM0266  AC146 HCT 116 C185(0.60); C161(0.76); C158(0.82); C30(1.11)  LDD0583  [13]
 LDCM0267  AC147 HCT 116 C158(0.88); C161(0.88); C185(0.89); C30(0.97)  LDD0584  [13]
 LDCM0268  AC148 HCT 116 C185(0.44); C161(0.66); C158(0.69); C30(0.92)  LDD0585  [13]
 LDCM0269  AC149 HCT 116 C185(0.53); C161(0.70); C158(0.74); C30(0.99)  LDD0586  [13]
 LDCM0270  AC15 HCT 116 C158(0.79); C161(0.79); C173(0.82); C185(1.09)  LDD0587  [13]
 LDCM0271  AC150 HCT 116 C185(0.77); C158(0.96); C161(0.96); C30(1.03)  LDD0588  [13]
 LDCM0272  AC151 HCT 116 C30(0.82); C185(0.85); C158(0.96); C161(0.97)  LDD0589  [13]
 LDCM0273  AC152 HCT 116 C185(0.56); C30(0.91); C161(0.92); C158(0.95)  LDD0590  [13]
 LDCM0274  AC153 HCT 116 C185(0.36); C161(0.54); C158(0.63); C30(0.83)  LDD0591  [13]
 LDCM0621  AC154 HCT 116 C158(0.94); C161(0.84); C173(1.24); C185(0.65)  LDD2158  [13]
 LDCM0622  AC155 HCT 116 C158(1.17); C161(1.06); C173(1.44); C185(0.60)  LDD2159  [13]
 LDCM0623  AC156 HCT 116 C158(1.12); C161(1.03); C173(1.17); C185(0.75)  LDD2160  [13]
 LDCM0624  AC157 HCT 116 C158(1.28); C161(1.20); C173(1.05); C185(0.67)  LDD2161  [13]
 LDCM0276  AC17 HCT 116 C158(0.79); C161(0.79); C441(0.86); C185(0.89)  LDD0593  [13]
 LDCM0277  AC18 HCT 116 C185(0.72); C444(0.87); C158(0.95); C161(0.95)  LDD0594  [13]
 LDCM0278  AC19 HCT 116 C185(0.76); C158(0.92); C161(0.92); C30(1.01)  LDD0595  [13]
 LDCM0279  AC2 HCT 116 C441(0.82); C158(0.84); C161(0.84); C185(0.93)  LDD0596  [13]
 LDCM0280  AC20 HCT 116 C158(0.80); C161(0.80); C441(0.86); C185(0.87)  LDD0597  [13]
 LDCM0281  AC21 HCT 116 C158(0.86); C161(0.86); C30(0.93); C185(0.97)  LDD0598  [13]
 LDCM0282  AC22 HCT 116 C158(0.84); C161(0.84); C185(0.86); C30(0.91)  LDD0599  [13]
 LDCM0283  AC23 HCT 116 C158(0.81); C161(0.81); C185(0.84); C30(0.89)  LDD0600  [13]
 LDCM0284  AC24 HCT 116 C158(0.72); C161(0.72); C173(0.91); C441(0.91)  LDD0601  [13]
 LDCM0285  AC25 HCT 116 C185(0.93); C158(0.93); C161(0.93); C173(1.02)  LDD0602  [13]
 LDCM0286  AC26 HCT 116 C185(0.65); C158(0.87); C161(0.87); C30(1.13)  LDD0603  [13]
 LDCM0287  AC27 HCT 116 C185(0.65); C158(0.94); C161(0.94); C173(1.22)  LDD0604  [13]
 LDCM0288  AC28 HCT 116 C185(0.63); C158(0.78); C161(0.78); C173(1.19)  LDD0605  [13]
 LDCM0289  AC29 HCT 116 C185(0.51); C158(0.63); C161(0.63); C30(1.08)  LDD0606  [13]
 LDCM0290  AC3 HCT 116 C158(0.91); C161(0.91); C441(0.99); C185(1.00)  LDD0607  [13]
 LDCM0291  AC30 HCT 116 C185(0.46); C158(0.61); C161(0.61); C30(1.27)  LDD0608  [13]
 LDCM0292  AC31 HCT 116 C185(0.62); C158(0.73); C161(0.73); C173(1.19)  LDD0609  [13]
 LDCM0293  AC32 HCT 116 C185(0.51); C158(0.63); C161(0.63); C30(1.31)  LDD0610  [13]
 LDCM0294  AC33 HCT 116 C185(0.86); C158(1.04); C161(1.04); C30(1.12)  LDD0611  [13]
 LDCM0295  AC34 HCT 116 C185(0.89); C158(1.07); C161(1.07); C173(1.12)  LDD0612  [13]
 LDCM0296  AC35 HCT 116 C173(0.77); C158(1.01); C161(1.01); C30(1.01)  LDD0613  [13]
 LDCM0297  AC36 HCT 116 C173(0.83); C158(0.91); C161(0.91); C30(1.07)  LDD0614  [13]
 LDCM0298  AC37 HCT 116 C173(0.70); C30(0.96); C158(1.06); C161(1.06)  LDD0615  [13]
 LDCM0299  AC38 HCT 116 C158(0.91); C161(0.91); C173(1.01); C185(1.03)  LDD0616  [13]
 LDCM0300  AC39 HCT 116 C158(0.94); C161(0.94); C173(0.98); C185(1.04)  LDD0617  [13]
 LDCM0301  AC4 HCT 116 C158(0.96); C161(0.96); C185(1.09); C441(1.18)  LDD0618  [13]
 LDCM0302  AC40 HCT 116 C158(0.94); C161(0.94); C185(0.96); C30(1.03)  LDD0619  [13]
 LDCM0303  AC41 HCT 116 C158(0.91); C161(0.91); C30(0.97); C185(1.04)  LDD0620  [13]
 LDCM0304  AC42 HCT 116 C185(0.99); C173(1.01); C158(1.01); C161(1.01)  LDD0621  [13]
 LDCM0305  AC43 HCT 116 C158(0.74); C161(0.74); C185(0.91); C30(1.07)  LDD0622  [13]
 LDCM0306  AC44 HCT 116 C173(0.73); C158(0.97); C161(0.97); C185(1.05)  LDD0623  [13]
 LDCM0307  AC45 HCT 116 C185(0.95); C173(0.98); C158(1.00); C161(1.00)  LDD0624  [13]
 LDCM0308  AC46 HCT 116 C158(0.77); C161(0.77); C185(0.84); C30(0.91)  LDD0625  [13]
 LDCM0309  AC47 HCT 116 C185(0.82); C158(0.85); C161(0.85); C30(0.91)  LDD0626  [13]
 LDCM0310  AC48 HCT 116 C158(0.69); C161(0.69); C185(0.74); C30(0.85)  LDD0627  [13]
 LDCM0311  AC49 HCT 116 C185(0.68); C158(0.68); C161(0.68); C30(0.93)  LDD0628  [13]
 LDCM0312  AC5 HCT 116 C158(0.95); C161(0.95); C185(1.00); C441(1.14)  LDD0629  [13]
 LDCM0313  AC50 HCT 116 C158(0.69); C161(0.69); C185(0.71); C30(0.92)  LDD0630  [13]
 LDCM0314  AC51 HCT 116 C30(0.79); C158(0.85); C161(0.85); C185(0.95)  LDD0631  [13]
 LDCM0315  AC52 HCT 116 C158(0.76); C161(0.76); C185(0.85); C30(0.90)  LDD0632  [13]
 LDCM0316  AC53 HCT 116 C185(0.84); C158(0.90); C161(0.90); C30(0.91)  LDD0633  [13]
 LDCM0317  AC54 HCT 116 C185(0.82); C158(0.85); C161(0.85); C30(0.96)  LDD0634  [13]
 LDCM0318  AC55 HCT 116 C158(0.67); C161(0.67); C185(0.84); C30(0.89)  LDD0635  [13]
 LDCM0319  AC56 HCT 116 C158(0.63); C161(0.63); C30(0.65); C185(0.65)  LDD0636  [13]
 LDCM0320  AC57 HCT 116 C30(0.87); C158(0.90); C161(0.90); C185(0.98)  LDD0637  [13]
 LDCM0321  AC58 HCT 116 C432(0.90); C444(0.90); C30(0.91); C185(0.92)  LDD0638  [13]
 LDCM0322  AC59 HCT 116 C185(0.77); C158(0.86); C161(0.86); C30(0.99)  LDD0639  [13]
 LDCM0323  AC6 HCT 116 C158(0.74); C161(0.74); C185(0.93); C30(1.11)  LDD0640  [13]
 LDCM0324  AC60 HCT 116 C185(0.70); C158(0.77); C161(0.77); C30(0.92)  LDD0641  [13]
 LDCM0325  AC61 HCT 116 C185(0.73); C158(0.75); C161(0.75); C432(0.88)  LDD0642  [13]
 LDCM0326  AC62 HCT 116 C185(0.68); C158(0.77); C161(0.77); C30(0.87)  LDD0643  [13]
 LDCM0327  AC63 HCT 116 C185(0.70); C158(0.76); C161(0.76); C30(0.90)  LDD0644  [13]
 LDCM0328  AC64 HCT 116 C185(0.70); C158(0.81); C161(0.81); C432(1.08)  LDD0645  [13]
 LDCM0329  AC65 HCT 116 C158(0.65); C161(0.65); C185(0.71); C432(0.90)  LDD0646  [13]
 LDCM0330  AC66 HCT 116 C158(0.69); C161(0.69); C185(0.79); C432(0.99)  LDD0647  [13]
 LDCM0331  AC67 HCT 116 C185(0.49); C158(0.60); C161(0.60); C432(0.84)  LDD0648  [13]
 LDCM0332  AC68 HCT 116 C432(0.76); C441(0.76); C30(0.84); C185(1.03)  LDD0649  [13]
 LDCM0333  AC69 HCT 116 C432(0.80); C441(0.80); C30(0.86); C185(1.02)  LDD0650  [13]
 LDCM0334  AC7 HCT 116 C158(0.76); C161(0.76); C173(0.85); C185(0.98)  LDD0651  [13]
 LDCM0335  AC70 HCT 116 C432(0.57); C441(0.57); C30(0.81); C158(0.94)  LDD0652  [13]
 LDCM0336  AC71 HCT 116 C30(0.78); C173(0.99); C185(1.15); C432(1.17)  LDD0653  [13]
 LDCM0337  AC72 HCT 116 C432(0.67); C441(0.67); C30(0.76); C158(0.98)  LDD0654  [13]
 LDCM0338  AC73 HCT 116 C432(0.70); C441(0.70); C158(0.77); C161(0.77)  LDD0655  [13]
 LDCM0339  AC74 HCT 116 C30(0.83); C185(0.92); C158(1.07); C161(1.07)  LDD0656  [13]
 LDCM0340  AC75 HCT 116 C432(0.56); C441(0.56); C158(0.71); C161(0.71)  LDD0657  [13]
 LDCM0341  AC76 HCT 116 C30(0.79); C432(1.12); C441(1.12); C185(1.15)  LDD0658  [13]
 LDCM0342  AC77 HCT 116 C432(0.70); C441(0.70); C30(0.76); C185(0.95)  LDD0659  [13]
 LDCM0343  AC78 HCT 116 C432(0.74); C441(0.74); C30(0.91); C158(1.06)  LDD0660  [13]
 LDCM0344  AC79 HCT 116 C432(0.53); C441(0.53); C30(0.83); C158(1.01)  LDD0661  [13]
 LDCM0345  AC8 HCT 116 C158(0.74); C161(0.74); C185(0.99); C173(1.05)  LDD0662  [13]
 LDCM0346  AC80 HCT 116 C30(0.73); C185(1.08); C173(1.14); C432(1.29)  LDD0663  [13]
 LDCM0347  AC81 HCT 116 C432(0.71); C441(0.71); C30(0.86); C173(1.06)  LDD0664  [13]
 LDCM0348  AC82 HCT 116 C185(0.78); C30(0.91); C173(0.98); C432(1.01)  LDD0665  [13]
 LDCM0349  AC83 HCT 116 C185(0.62); C158(0.71); C161(0.71); C173(1.49)  LDD0666  [13]
 LDCM0350  AC84 HCT 116 C185(0.67); C158(0.79); C161(0.79); C173(1.30)  LDD0667  [13]
 LDCM0351  AC85 HCT 116 C185(0.72); C158(0.89); C161(0.89); C173(1.45)  LDD0668  [13]
 LDCM0352  AC86 HCT 116 C185(0.79); C158(0.87); C161(0.87); C173(1.16)  LDD0669  [13]
 LDCM0353  AC87 HCT 116 C158(0.74); C161(0.74); C185(0.86); C173(1.20)  LDD0670  [13]
 LDCM0354  AC88 HCT 116 C158(0.79); C161(0.79); C185(0.80); C173(1.13)  LDD0671  [13]
 LDCM0355  AC89 HCT 116 C185(0.72); C158(0.79); C161(0.79); C173(1.31)  LDD0672  [13]
 LDCM0357  AC90 HCT 116 C158(0.81); C161(0.81); C185(0.84); C173(1.15)  LDD0674  [13]
 LDCM0358  AC91 HCT 116 C185(0.76); C158(0.86); C161(0.86); C173(1.50)  LDD0675  [13]
 LDCM0359  AC92 HCT 116 C185(0.72); C158(0.84); C161(0.84); C173(1.54)  LDD0676  [13]
 LDCM0360  AC93 HCT 116 C185(0.82); C158(1.12); C161(1.12); C173(1.24)  LDD0677  [13]
 LDCM0361  AC94 HCT 116 C185(0.90); C158(1.06); C161(1.06); C173(1.10)  LDD0678  [13]
 LDCM0362  AC95 HCT 116 C185(0.79); C158(0.82); C161(0.82); C173(1.13)  LDD0679  [13]
 LDCM0363  AC96 HCT 116 C185(0.81); C158(1.02); C161(1.02); C173(1.17)  LDD0680  [13]
 LDCM0364  AC97 HCT 116 C185(0.63); C158(0.70); C161(0.70); C173(1.35)  LDD0681  [13]
 LDCM0365  AC98 HCT 116 C158(0.32); C161(0.32); C185(0.32); C30(0.43)  LDD0682  [13]
 LDCM0366  AC99 HCT 116 C185(0.69); C173(0.85); C30(0.85); C158(0.92)  LDD0683  [13]
 LDCM0545  Acetamide MDA-MB-231 C185(0.60)  LDD2138  [7]
 LDCM0248  AKOS034007472 HCT 116 C158(0.74); C161(0.74); C173(0.95); C185(1.04)  LDD0565  [13]
 LDCM0356  AKOS034007680 HCT 116 C158(0.85); C161(0.85); C173(0.98); C30(1.15)  LDD0673  [13]
 LDCM0275  AKOS034007705 HCT 116 C158(0.59); C161(0.59); C185(0.79); C173(0.98)  LDD0592  [13]
 LDCM0156  Aniline NCI-H1299 C432(0.00); C173(0.00)  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C158(0.99); C161(0.99); C30(0.92); C432(0.90)  LDD0078  [13]
 LDCM0498  BS-3668 MDA-MB-231 C173(0.83); C30(0.69)  LDD2091  [7]
 LDCM0630  CCW28-3 231MFP C30(1.26)  LDD2214  [33]
 LDCM0108  Chloroacetamide HeLa C30(0.00); C185(0.00); C173(0.00); C158(0.00)  LDD0222  [28]
 LDCM0632  CL-Sc Hep-G2 C158(20.00); C129(1.23); C30(0.82); C129(0.74)  LDD2227  [20]
 LDCM0367  CL1 HCT 116 C30(0.85); C432(0.92); C441(0.92); C444(0.96)  LDD0684  [13]
 LDCM0368  CL10 HCT 116 C432(0.41); C441(0.41); C444(0.41); C185(0.68)  LDD0685  [13]
 LDCM0369  CL100 HCT 116 C158(0.83); C161(0.83); C185(0.90); C444(0.95)  LDD0686  [13]
 LDCM0370  CL101 HCT 116 C158(0.84); C161(0.84); C185(0.95); C173(1.02)  LDD0687  [13]
 LDCM0371  CL102 HCT 116 C173(0.80); C158(0.80); C161(0.80); C185(1.03)  LDD0688  [13]
 LDCM0372  CL103 HCT 116 C173(0.79); C158(0.95); C161(0.95); C185(1.08)  LDD0689  [13]
 LDCM0373  CL104 HCT 116 C158(0.80); C161(0.80); C173(1.03); C185(1.11)  LDD0690  [13]
 LDCM0374  CL105 HCT 116 C185(0.77); C158(0.87); C161(0.87); C444(0.97)  LDD0691  [13]
 LDCM0375  CL106 HCT 116 C185(0.67); C30(0.86); C444(0.98); C158(1.02)  LDD0692  [13]
 LDCM0376  CL107 HCT 116 C444(0.63); C185(0.74); C432(0.87); C158(0.96)  LDD0693  [13]
 LDCM0377  CL108 HCT 116 C185(0.87); C441(0.93); C158(0.94); C161(0.94)  LDD0694  [13]
 LDCM0378  CL109 HCT 116 C444(0.76); C185(0.76); C432(0.92); C158(1.01)  LDD0695  [13]
 LDCM0379  CL11 HCT 116 C444(0.46); C432(0.49); C441(0.49); C185(0.94)  LDD0696  [13]
 LDCM0380  CL110 HCT 116 C158(0.85); C161(0.85); C30(0.87); C185(0.91)  LDD0697  [13]
 LDCM0381  CL111 HCT 116 C158(0.67); C161(0.67); C185(0.69); C444(0.71)  LDD0698  [13]
 LDCM0382  CL112 HCT 116 C185(0.81); C158(0.87); C161(0.87); C173(1.17)  LDD0699  [13]
 LDCM0383  CL113 HCT 116 C185(0.53); C158(0.71); C161(0.71); C30(1.07)  LDD0700  [13]
 LDCM0384  CL114 HCT 116 C185(0.58); C158(0.69); C161(0.69); C30(0.97)  LDD0701  [13]
 LDCM0385  CL115 HCT 116 C185(0.73); C158(0.84); C161(0.84); C173(1.14)  LDD0702  [13]
 LDCM0386  CL116 HCT 116 C185(0.86); C158(1.00); C161(1.00); C30(1.31)  LDD0703  [13]
 LDCM0387  CL117 HCT 116 C185(0.84); C158(0.94); C161(0.94); C173(0.98)  LDD0704  [13]
 LDCM0388  CL118 HCT 116 C158(0.97); C161(0.97); C185(1.01); C173(1.03)  LDD0705  [13]
 LDCM0389  CL119 HCT 116 C158(0.78); C161(0.78); C185(1.06); C30(1.10)  LDD0706  [13]
 LDCM0390  CL12 HCT 116 C444(0.49); C432(0.49); C441(0.49); C185(0.76)  LDD0707  [13]
 LDCM0391  CL120 HCT 116 C158(0.76); C161(0.76); C173(0.94); C185(1.01)  LDD0708  [13]
 LDCM0392  CL121 HCT 116 C185(0.95); C30(1.07); C173(1.26); C158(2.83)  LDD0709  [13]
 LDCM0393  CL122 HCT 116 C185(0.75); C158(0.77); C161(0.77); C30(0.88)  LDD0710  [13]
 LDCM0394  CL123 HCT 116 C185(0.84); C158(0.89); C161(0.89); C30(0.97)  LDD0711  [13]
 LDCM0395  CL124 HCT 116 C185(0.74); C158(0.76); C161(0.76); C30(0.94)  LDD0712  [13]
 LDCM0396  CL125 HCT 116 C185(0.90); C432(0.91); C444(0.91); C30(0.91)  LDD0713  [13]
 LDCM0397  CL126 HCT 116 C30(0.92); C185(0.96); C432(0.98); C444(0.98)  LDD0714  [13]
 LDCM0398  CL127 HCT 116 C185(0.84); C432(0.91); C444(0.91); C30(1.01)  LDD0715  [13]
 LDCM0399  CL128 HCT 116 C185(0.96); C30(1.00); C158(1.01); C161(1.01)  LDD0716  [13]
 LDCM0400  CL13 HCT 116 C444(0.47); C432(0.49); C441(0.49); C185(0.82)  LDD0717  [13]
 LDCM0401  CL14 HCT 116 C444(0.72); C432(0.77); C441(0.77); C30(0.82)  LDD0718  [13]
 LDCM0402  CL15 HCT 116 C432(0.49); C441(0.49); C444(0.52); C185(0.76)  LDD0719  [13]
 LDCM0403  CL16 HCT 116 C185(0.94); C30(1.03); C173(1.07); C158(1.08)  LDD0720  [13]
 LDCM0404  CL17 HCT 116 C441(0.52); C173(0.67); C432(0.68); C444(0.68)  LDD0721  [13]
 LDCM0405  CL18 HCT 116 C441(0.59); C432(0.68); C444(0.68); C185(0.71)  LDD0722  [13]
 LDCM0406  CL19 HCT 116 C441(0.69); C432(0.73); C444(0.73); C185(0.75)  LDD0723  [13]
 LDCM0407  CL2 HCT 116 C444(0.80); C185(0.90); C30(0.93); C173(0.98)  LDD0724  [13]
 LDCM0408  CL20 HCT 116 C185(0.61); C441(0.71); C432(0.82); C444(0.82)  LDD0725  [13]
 LDCM0409  CL21 HCT 116 C432(0.62); C444(0.62); C441(0.62); C158(0.76)  LDD0726  [13]
 LDCM0410  CL22 HCT 116 C441(0.33); C432(0.42); C444(0.42); C158(0.60)  LDD0727  [13]
 LDCM0411  CL23 HCT 116 C185(0.70); C173(0.88); C441(0.90); C432(0.92)  LDD0728  [13]
 LDCM0412  CL24 HCT 116 C158(1.00); C161(1.00); C173(1.31); C185(0.91)  LDD0729  [13]
 LDCM0413  CL25 HCT 116 C158(1.03); C161(1.03); C173(0.93); C185(0.78)  LDD0730  [13]
 LDCM0414  CL26 HCT 116 C158(0.98); C161(0.98); C173(1.00); C185(0.78)  LDD0731  [13]
 LDCM0415  CL27 HCT 116 C158(1.06); C161(1.06); C173(0.84); C185(0.97)  LDD0732  [13]
 LDCM0416  CL28 HCT 116 C158(1.01); C161(1.01); C173(0.82); C185(0.81)  LDD0733  [13]
 LDCM0417  CL29 HCT 116 C158(1.17); C161(1.17); C173(0.86); C185(0.71)  LDD0734  [13]
 LDCM0418  CL3 HCT 116 C158(1.42); C161(1.42); C173(1.06); C185(0.86)  LDD0735  [13]
 LDCM0419  CL30 HCT 116 C158(1.13); C161(1.13); C173(0.97); C185(0.78)  LDD0736  [13]
 LDCM0420  CL31 HCT 116 C158(1.67); C161(1.67); C173(1.06); C185(1.06)  LDD0737  [13]
 LDCM0421  CL32 HCT 116 C158(1.14); C161(1.14); C173(1.33); C185(0.83)  LDD0738  [13]
 LDCM0422  CL33 HCT 116 C158(1.09); C161(1.09); C173(1.04); C185(1.30)  LDD0739  [13]
 LDCM0423  CL34 HCT 116 C158(0.87); C161(0.87); C173(1.34); C185(1.11)  LDD0740  [13]
 LDCM0424  CL35 HCT 116 C158(1.08); C161(1.08); C173(1.39); C185(1.07)  LDD0741  [13]
 LDCM0425  CL36 HCT 116 C158(1.01); C161(1.01); C173(1.18); C185(1.27)  LDD0742  [13]
 LDCM0426  CL37 HCT 116 C158(1.01); C161(1.01); C173(1.32); C185(1.14)  LDD0743  [13]
 LDCM0428  CL39 HCT 116 C158(1.10); C161(1.10); C173(1.33); C185(1.03)  LDD0745  [13]
 LDCM0429  CL4 HCT 116 C158(1.05); C161(1.05); C173(1.04); C185(0.97)  LDD0746  [13]
 LDCM0430  CL40 HCT 116 C158(0.99); C161(0.99); C173(1.03); C185(1.01)  LDD0747  [13]
 LDCM0431  CL41 HCT 116 C158(1.42); C161(1.42); C173(1.10); C185(0.94)  LDD0748  [13]
 LDCM0432  CL42 HCT 116 C158(0.86); C161(0.86); C173(1.23); C185(1.37)  LDD0749  [13]
 LDCM0433  CL43 HCT 116 C158(1.02); C161(1.02); C173(1.09); C185(0.90)  LDD0750  [13]
 LDCM0434  CL44 HCT 116 C158(0.95); C161(0.95); C173(1.49); C185(1.37)  LDD0751  [13]
 LDCM0435  CL45 HCT 116 C158(0.69); C161(0.69); C173(1.35); C185(1.14)  LDD0752  [13]
 LDCM0436  CL46 HCT 116 C158(1.08); C161(1.08); C173(1.09); C185(0.82)  LDD0753  [13]
 LDCM0437  CL47 HCT 116 C158(0.97); C161(0.97); C173(0.92); C185(0.86)  LDD0754  [13]
 LDCM0438  CL48 HCT 116 C158(0.98); C161(0.98); C173(1.03); C185(0.93)  LDD0755  [13]
 LDCM0439  CL49 HCT 116 C158(0.98); C161(0.98); C173(1.01); C185(0.92)  LDD0756  [13]
 LDCM0440  CL5 HCT 116 C158(0.88); C161(0.88); C173(0.86); C185(0.95)  LDD0757  [13]
 LDCM0441  CL50 HCT 116 C158(1.03); C161(1.03); C173(0.99); C185(1.02)  LDD0758  [13]
 LDCM0442  CL51 HCT 116 C158(0.96); C161(0.96); C173(1.02); C185(0.86)  LDD0759  [13]
 LDCM0443  CL52 HCT 116 C158(1.15); C161(1.15); C173(1.09); C185(0.80)  LDD0760  [13]
 LDCM0444  CL53 HCT 116 C158(1.36); C161(1.36); C173(0.88); C185(0.93)  LDD0761  [13]
 LDCM0445  CL54 HCT 116 C158(1.06); C161(1.06); C173(0.99); C185(0.82)  LDD0762  [13]
 LDCM0446  CL55 HCT 116 C158(1.14); C161(1.14); C173(0.95); C185(0.84)  LDD0763  [13]
 LDCM0447  CL56 HCT 116 C158(1.00); C161(1.00); C173(1.14); C185(0.84)  LDD0764  [13]
 LDCM0448  CL57 HCT 116 C158(1.24); C161(1.24); C173(1.00); C185(0.92)  LDD0765  [13]
 LDCM0449  CL58 HCT 116 C158(1.07); C161(1.07); C173(0.95); C185(0.86)  LDD0766  [13]
 LDCM0450  CL59 HCT 116 C158(1.12); C161(1.12); C173(0.98); C185(0.91)  LDD0767  [13]
 LDCM0451  CL6 HCT 116 C158(0.82); C161(0.82); C173(0.97); C185(0.79)  LDD0768  [13]
 LDCM0452  CL60 HCT 116 C158(1.00); C161(1.00); C173(0.97); C185(0.87)  LDD0769  [13]
 LDCM0453  CL61 HCT 116 C158(0.91); C161(0.91); C173(1.03)  LDD0770  [13]
 LDCM0454  CL62 HCT 116 C158(1.07); C161(1.07); C173(1.05)  LDD0771  [13]
 LDCM0455  CL63 HCT 116 C158(0.80); C161(0.80); C173(1.16)  LDD0772  [13]
 LDCM0456  CL64 HCT 116 C158(1.00); C161(1.00); C173(1.21)  LDD0773  [13]
 LDCM0457  CL65 HCT 116 C158(1.07); C161(1.07); C173(1.05)  LDD0774  [13]
 LDCM0458  CL66 HCT 116 C158(1.05); C161(1.05); C173(1.35)  LDD0775  [13]
 LDCM0459  CL67 HCT 116 C158(0.88); C161(0.88); C173(1.05)  LDD0776  [13]
 LDCM0460  CL68 HCT 116 C158(0.77); C161(0.77); C173(0.99)  LDD0777  [13]
 LDCM0461  CL69 HCT 116 C158(0.96); C161(0.96); C173(1.11)  LDD0778  [13]
 LDCM0462  CL7 HCT 116 C158(0.94); C161(0.94); C173(1.05); C185(0.88)  LDD0779  [13]
 LDCM0463  CL70 HCT 116 C158(0.84); C161(0.84); C173(1.03)  LDD0780  [13]
 LDCM0464  CL71 HCT 116 C158(0.89); C161(0.89); C173(0.99)  LDD0781  [13]
 LDCM0465  CL72 HCT 116 C158(1.03); C161(1.03); C173(1.03)  LDD0782  [13]
 LDCM0466  CL73 HCT 116 C158(0.82); C161(0.82); C173(0.92)  LDD0783  [13]
 LDCM0467  CL74 HCT 116 C158(0.77); C161(0.77); C173(1.04)  LDD0784  [13]
 LDCM0469  CL76 HCT 116 C158(0.93); C161(0.93); C173(1.24); C185(0.96)  LDD0786  [13]
 LDCM0470  CL77 HCT 116 C158(1.09); C161(1.09); C173(1.56); C185(1.06)  LDD0787  [13]
 LDCM0471  CL78 HCT 116 C158(0.93); C161(0.93); C173(1.20); C185(1.05)  LDD0788  [13]
 LDCM0472  CL79 HCT 116 C158(0.95); C161(0.95); C173(1.30); C185(1.16)  LDD0789  [13]
 LDCM0473  CL8 HCT 116 C158(0.95); C161(0.95); C173(1.02); C185(0.80)  LDD0790  [13]
 LDCM0474  CL80 HCT 116 C158(0.83); C161(0.83); C173(1.20); C185(0.95)  LDD0791  [13]
 LDCM0475  CL81 HCT 116 C158(1.00); C161(1.00); C173(1.12); C185(1.16)  LDD0792  [13]
 LDCM0476  CL82 HCT 116 C158(0.91); C161(0.91); C173(1.66); C185(1.10)  LDD0793  [13]
 LDCM0477  CL83 HCT 116 C158(0.82); C161(0.82); C173(1.32); C185(0.95)  LDD0794  [13]
 LDCM0478  CL84 HCT 116 C158(0.74); C161(0.74); C173(1.88); C185(0.84)  LDD0795  [13]
 LDCM0479  CL85 HCT 116 C158(1.02); C161(1.02); C173(1.34); C185(1.00)  LDD0796  [13]
 LDCM0480  CL86 HCT 116 C158(0.95); C161(0.95); C173(1.36); C185(1.08)  LDD0797  [13]
 LDCM0481  CL87 HCT 116 C158(0.81); C161(0.81); C173(1.11); C185(1.09)  LDD0798  [13]
 LDCM0482  CL88 HCT 116 C158(0.83); C161(0.83); C173(1.35); C185(1.18)  LDD0799  [13]
 LDCM0483  CL89 HCT 116 C158(0.59); C161(0.59); C173(1.85); C185(0.84)  LDD0800  [13]
 LDCM0484  CL9 HCT 116 C158(0.94); C161(0.94); C173(1.28); C185(0.83)  LDD0801  [13]
 LDCM0485  CL90 HCT 116 C158(1.04); C161(1.04); C173(0.93); C185(1.21)  LDD0802  [13]
 LDCM0486  CL91 HCT 116 C158(0.92); C161(0.92); C173(0.97); C185(0.87)  LDD0803  [13]
 LDCM0487  CL92 HCT 116 C158(1.07); C161(1.07); C173(0.81); C185(0.95)  LDD0804  [13]
 LDCM0488  CL93 HCT 116 C158(1.17); C161(1.17); C173(0.91); C185(1.00)  LDD0805  [13]
 LDCM0489  CL94 HCT 116 C158(1.13); C161(1.13); C173(1.11); C185(0.91)  LDD0806  [13]
 LDCM0490  CL95 HCT 116 C158(1.22); C161(1.22); C173(1.21); C185(1.00)  LDD0807  [13]
 LDCM0491  CL96 HCT 116 C158(1.05); C161(1.05); C173(1.25); C185(1.03)  LDD0808  [13]
 LDCM0492  CL97 HCT 116 C158(0.88); C161(0.88); C173(1.28); C185(0.77)  LDD0809  [13]
 LDCM0493  CL98 HCT 116 C158(0.82); C161(0.82); C173(1.10); C185(0.89)  LDD0810  [13]
 LDCM0494  CL99 HCT 116 C158(0.84); C161(0.84); C173(1.22); C185(0.89)  LDD0811  [13]
 LDCM0495  E2913 HEK-293T C173(1.09); C185(1.08); C30(0.75); C129(1.10)  LDD1698  [34]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C185(4.27); C158(2.16); C173(1.18)  LDD1702  [7]
 LDCM0031  Epigallocatechin gallate HEK-293T 7.25  LDD0183  [8]
 LDCM0625  F8 Ramos C30(0.37); C185(2.13)  LDD2187  [35]
 LDCM0572  Fragment10 Ramos C30(0.43); C185(0.67)  LDD2189  [35]
 LDCM0573  Fragment11 Ramos C30(0.17); C185(0.57)  LDD2190  [35]
 LDCM0574  Fragment12 Ramos C30(0.60); C185(0.66)  LDD2191  [35]
 LDCM0575  Fragment13 Ramos C30(0.57); C185(0.76)  LDD2192  [35]
 LDCM0576  Fragment14 Ramos C30(1.39); C185(0.96)  LDD2193  [35]
 LDCM0579  Fragment20 Ramos C30(0.76); C185(0.46)  LDD2194  [35]
 LDCM0580  Fragment21 Ramos C30(0.89); C185(0.78)  LDD2195  [35]
 LDCM0582  Fragment23 Ramos C30(0.86); C185(1.38)  LDD2196  [35]
 LDCM0578  Fragment27 Ramos C30(0.58); C185(1.08)  LDD2197  [35]
 LDCM0586  Fragment28 Ramos C30(1.23)  LDD2198  [35]
 LDCM0588  Fragment30 Ramos C30(0.42); C185(1.10)  LDD2199  [35]
 LDCM0589  Fragment31 Ramos C30(0.89); C185(1.39)  LDD2200  [35]
 LDCM0590  Fragment32 Ramos C30(0.35); C185(0.49)  LDD2201  [35]
 LDCM0468  Fragment33 HCT 116 C158(1.16); C161(1.16); C173(1.22)  LDD0785  [13]
 LDCM0596  Fragment38 Ramos C30(0.26); C185(0.89)  LDD2203  [35]
 LDCM0566  Fragment4 Ramos C30(0.91); C185(1.41)  LDD2184  [35]
 LDCM0427  Fragment51 HCT 116 C158(1.03); C161(1.03); C173(1.00); C185(1.16)  LDD0744  [13]
 LDCM0610  Fragment52 Ramos C30(0.23); C185(1.07)  LDD2204  [35]
 LDCM0614  Fragment56 Ramos C30(0.22); C185(1.09)  LDD2205  [35]
 LDCM0569  Fragment7 Ramos C30(0.49); C185(0.68)  LDD2186  [35]
 LDCM0571  Fragment9 Ramos C30(1.56); C185(0.80)  LDD2188  [35]
 LDCM0116  HHS-0101 DM93 Y159(0.21); Y265(0.73); Y191(0.88)  LDD0264  [11]
 LDCM0117  HHS-0201 DM93 Y159(0.61); Y191(0.82); Y265(1.52)  LDD0265  [11]
 LDCM0118  HHS-0301 DM93 Y159(0.72); Y265(0.88)  LDD0266  [11]
 LDCM0119  HHS-0401 DM93 Y159(0.61); Y191(1.24); Y265(1.55)  LDD0267  [11]
 LDCM0120  HHS-0701 DM93 Y191(0.93); Y265(1.34); Y159(2.66)  LDD0268  [11]
 LDCM0107  IAA HeLa C30(0.00); H503(0.00); H332(0.00)  LDD0221  [28]
 LDCM0123  JWB131 DM93 Y84(1.30)  LDD0285  [10]
 LDCM0124  JWB142 DM93 Y191(0.43); Y84(0.56)  LDD0286  [10]
 LDCM0125  JWB146 DM93 Y191(0.91); Y84(1.25)  LDD0287  [10]
 LDCM0126  JWB150 DM93 Y191(3.12); Y84(6.98)  LDD0288  [10]
 LDCM0127  JWB152 DM93 Y191(1.75); Y84(2.05)  LDD0289  [10]
 LDCM0128  JWB198 DM93 Y84(1.13)  LDD0290  [10]
 LDCM0129  JWB202 DM93 Y191(0.37); Y84(0.46)  LDD0291  [10]
 LDCM0130  JWB211 DM93 Y191(0.87); Y84(0.63)  LDD0292  [10]
 LDCM0022  KB02 HCT 116 C30(1.40); C158(1.56); C161(1.56); C432(1.85)  LDD0080  [13]
 LDCM0023  KB03 HCT 116 C30(1.94); C158(1.08); C161(1.08); C432(1.26)  LDD0081  [13]
 LDCM0024  KB05 HCT 116 C30(3.09); C158(2.29); C161(2.29); C432(2.15)  LDD0082  [13]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C185(0.74)  LDD2121  [7]
 LDCM0109  NEM HeLa H93(0.00); H503(0.00); H332(0.00)  LDD0223  [28]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C185(0.89)  LDD2089  [7]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C185(1.09)  LDD2092  [7]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C161(1.08)  LDD2093  [7]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C185(1.01)  LDD2094  [7]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C185(0.28)  LDD2096  [7]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C185(0.83)  LDD2098  [7]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C173(1.17); C185(0.94)  LDD2099  [7]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C185(1.02)  LDD2105  [7]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C185(0.82); C161(0.26); C30(1.12)  LDD2106  [7]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C173(0.87); C185(0.93)  LDD2107  [7]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C173(1.33); C185(0.85)  LDD2109  [7]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C185(1.13); C30(1.16)  LDD2110  [7]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C173(0.81)  LDD2111  [7]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C185(0.77); C30(1.18)  LDD2114  [7]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C161(0.48)  LDD2115  [7]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C185(0.50)  LDD2116  [7]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C173(0.63)  LDD2120  [7]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C185(0.52)  LDD2122  [7]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C173(0.92); C185(1.01)  LDD2123  [7]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C185(0.53)  LDD2124  [7]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C173(1.10); C185(0.91); C161(1.01)  LDD2125  [7]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C173(1.01); C185(0.99)  LDD2127  [7]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C173(0.96)  LDD2129  [7]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C173(1.03); C185(1.32)  LDD2135  [7]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C173(1.21)  LDD2136  [7]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C173(1.02); C185(0.93)  LDD2137  [7]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C30(0.75)  LDD2141  [7]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C173(1.62); C185(1.20)  LDD2144  [7]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C173(0.93); C161(0.87)  LDD2146  [7]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C173(0.92); C185(0.83); C30(0.79)  LDD2150  [7]
 LDCM0131  RA190 MM1.R C30(1.56)  LDD0304  [36]
 LDCM0021  THZ1 HCT 116 C432(1.21); C441(1.21); C444(1.21); C158(1.03)  LDD2173  [13]

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
SUMO-activating enzyme subunit 1 (SAE1) Ubiquitin-activating E1 family Q9UBE0
SUMO-conjugating enzyme UBC9 (UBE2I) Ubiquitin-conjugating enzyme family P63279
Other
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Small ubiquitin-related modifier 1 (SUMO1) Ubiquitin family P63165
Small ubiquitin-related modifier 5 (SUMO1P1) Ubiquitin family G2XKQ0

References

1 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
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 2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells. J Am Chem Soc. 2020 Apr 1;142(13):6051-6059. doi: 10.1021/jacs.9b12116. Epub 2020 Mar 23.
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 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
6 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.
7 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
8 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
9 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
10 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.
11 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
12 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.
13 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.
14 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
15 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.
16 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
17 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
18 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
19 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
20 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
21 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
22 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
23 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
24 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
25 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.
26 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
27 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.
28 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.
29 Oxidant-Induced Bioconjugation for Protein Labeling in Live Cells. ACS Chem Biol. 2023 Jan 20;18(1):112-122. doi: 10.1021/acschembio.2c00740. Epub 2022 Dec 21.
30 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.
31 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
32 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.
33 Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.
34 Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19.
Mass spectrometry data entry: PXD044402
35 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
36 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.