Details of the Target

General Information of Target

Target ID LDTP02222
Target Name Bifunctional glutamate/proline--tRNA ligase (EPRS1)
Gene Name EPRS1
Gene ID 2058
Synonyms
EPRS; GLNS; PARS; QARS; QPRS; Bifunctional glutamate/proline--tRNA ligase; Bifunctional aminoacyl-tRNA synthetase; Cell proliferation-inducing gene 32 protein; Glutamatyl-prolyl-tRNA synthetase) [Includes: Glutamate--tRNA ligase; EC 6.1.1.17; Glutamyl-tRNA synthetase; GluRS; Proline--tRNA ligase; EC 6.1.1.15; Prolyl-tRNA synthetase)]
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MATLSLTVNSGDPPLGALLAVEHVKDDVSISVEEGKENILHVSENVIFTDVNSILRYLAR
VATTAGLYGSNLMEHTEIDHWLEFSATKLSSCDSFTSTINELNHCLSLRTYLVGNSLSLA
DLCVWATLKGNAAWQEQLKQKKAPVHVKRWFGFLEAQQAFQSVGTKWDVSTTKARVAPEK
KQDVGKFVELPGAEMGKVTVRFPPEASGYLHIGHAKAALLNQHYQVNFKGKLIMRFDDTN
PEKEKEDFEKVILEDVAMLHIKPDQFTYTSDHFETIMKYAEKLIQEGKAYVDDTPAEQMK
AEREQRIDSKHRKNPIEKNLQMWEEMKKGSQFGQSCCLRAKIDMSSNNGCMRDPTLYRCK
IQPHPRTGNKYNVYPTYDFACPIVDSIEGVTHALRTTEYHDRDEQFYWIIEALGIRKPYI
WEYSRLNLNNTVLSKRKLTWFVNEGLVDGWDDPRFPTVRGVLRRGMTVEGLKQFIAAQGS
SRSVVNMEWDKIWAFNKKVIDPVAPRYVALLKKEVIPVNVPEAQEEMKEVAKHPKNPEVG
LKPVWYSPKVFIEGADAETFSEGEMVTFINWGNLNITKIHKNADGKIISLDAKLNLENKD
YKKTTKVTWLAETTHALPIPVICVTYEHLITKPVLGKDEDFKQYVNKNSKHEELMLGDPC
LKDLKKGDIIQLQRRGFFICDQPYEPVSPYSCKEAPCVLIYIPDGHTKEMPTSGSKEKTK
VEATKNETSAPFKERPTPSLNNNCTTSEDSLVLYNRVAVQGDVVRELKAKKAPKEDVDAA
VKQLLSLKAEYKEKTGQEYKPGNPPAEIGQNISSNSSASILESKSLYDEVAAQGEVVRKL
KAEKSPKAKINEAVECLLSLKAQYKEKTGKEYIPGQPPLSQSSDSSPTRNSEPAGLETPE
AKVLFDKVASQGEVVRKLKTEKAPKDQVDIAVQELLQLKAQYKSLIGVEYKPVSATGAED
KDKKKKEKENKSEKQNKPQKQNDGQRKDPSKNQGGGLSSSGAGEGQGPKKQTRLGLEAKK
EENLADWYSQVITKSEMIEYHDISGCYILRPWAYAIWEAIKDFFDAEIKKLGVENCYFPM
FVSQSALEKEKTHVADFAPEVAWVTRSGKTELAEPIAIRPTSETVMYPAYAKWVQSHRDL
PIKLNQWCNVVRWEFKHPQPFLRTREFLWQEGHSAFATMEEAAEEVLQILDLYAQVYEEL
LAIPVVKGRKTEKEKFAGGDYTTTIEAFISASGRAIQGGTSHHLGQNFSKMFEIVFEDPK
IPGEKQFAYQNSWGLTTRTIGVMTMVHGDNMGLVLPPRVACVQVVIIPCGITNALSEEDK
EALIAKCNDYRRRLLSVNIRVRADLRDNYSPGWKFNHWELKGVPIRLEVGPRDMKSCQFV
AVRRDTGEKLTVAENEAETKLQAILEDIQVTLFTRASEDLKTHMVVANTMEDFQKILDSG
KIVQIPFCGEIDCEDWIKKTTARDQDLEPGAPSMGAKSLCIPFKPLCELQPGAKCVCGKN
PAKYYTLFGRSY
Target Type
Clinical trial
Target Bioclass
Enzyme
Family
Class-I aminoacyl-tRNA synthetase family, Glutamate--tRNA ligase type 2 subfamily; Class-II aminoacyl-tRNA synthetase family
Subcellular location
Cytoplasm, cytosol
Function
Multifunctional protein which primarily functions within the aminoacyl-tRNA synthetase multienzyme complex, also known as multisynthetase complex. Within the complex it catalyzes the attachment of both L-glutamate and L-proline to their cognate tRNAs in a two-step reaction where the amino acid is first activated by ATP to form a covalent intermediate with AMP. Subsequently, the activated amino acid is transferred to the acceptor end of the cognate tRNA to form L-glutamyl-tRNA(Glu) and L-prolyl-tRNA(Pro). Upon interferon-gamma stimulation, EPRS1 undergoes phosphorylation, causing its dissociation from the aminoacyl-tRNA synthetase multienzyme complex. It is recruited to form the GAIT complex, which binds to stem loop-containing GAIT elements found in the 3'-UTR of various inflammatory mRNAs, such as ceruloplasmin. The GAIT complex inhibits the translation of these mRNAs, allowing interferon-gamma to redirect the function of EPRS1 from protein synthesis to translation inhibition in specific cell contexts. Furthermore, it can function as a downstream effector in the mTORC1 signaling pathway, by promoting the translocation of SLC27A1 from the cytoplasm to the plasma membrane where it mediates the uptake of long-chain fatty acid by adipocytes. Thereby, EPRS1 also plays a role in fat metabolism and more indirectly influences lifespan.
TTD ID
T67416
Uniprot ID
P07814
DrugMap ID
TTXYCDZ
Ensemble ID
ENST00000366923.8
HGNC ID
HGNC:3418
ChEMBL ID
CHEMBL3873

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 56 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		12.20  LDD0402  [1]
A-EBA
 Probe Info  		3.77  LDD0215  [2]
11RK72
 Probe Info  		2.57  LDD0327  [3]
11RK73
 Probe Info  		2.63  LDD0328  [3]
DAyne
 Probe Info  		3.54  LDD0261  [4]
CY4
 Probe Info  		4.04  LDD0244  [5]
N1
 Probe Info  		3.89  LDD0242  [5]
TH211
 Probe Info  		Y1127(20.00); Y1130(20.00); Y224(13.25); Y1269(11.03)  LDD0257  [6]
TH216
 Probe Info  		Y1127(20.00); Y1130(20.00); Y357(20.00); Y546(19.15)  LDD0259  [6]
YN-1
 Probe Info  		100.00  LDD0444  [7]
YN-4
 Probe Info  		100.00  LDD0445  [7]
BTD
 Probe Info  		C1377(9.69)  LDD1699  [8]
ONAyne
 Probe Info  		K360(0.00); K666(0.00); K1421(0.00)  LDD0273  [9]
OPA-S-S-alkyne
 Probe Info  		K666(0.99); K328(1.73); K360(1.77); K435(2.68)  LDD3494  [10]
Probe 1
 Probe Info  		Y224(15.34); Y290(8.96); Y419(23.79); Y754(9.00)  LDD3495  [11]
THZ1-DTB
 Probe Info  		C1448(1.14); C1480(1.05)  LDD0460  [12]
AHL-Pu-1
 Probe Info  		C1148(2.13); C856(2.43); C744(2.53); C692(2.05)  LDD0168  [13]
EA-probe
 Probe Info  		C1076(1.23)  LDD2210  [14]
HHS-482
 Probe Info  		Y1127(0.89); Y701(1.02)  LDD0285  [15]
HHS-475
 Probe Info  		Y791(0.30); Y701(0.84); Y399(0.98); Y864(2.83)  LDD0264  [16]
HHS-465
 Probe Info  		Y1077(10.00); Y399(10.00); Y407(10.00); Y423(5.15)  LDD2237  [17]
DBIA
 Probe Info  		C1148(0.98); C1377(0.98); C1076(0.97); C105(0.92)  LDD0078  [18]
5E-2FA
 Probe Info  		H223(0.00); H104(0.00); H651(0.00)  LDD2235  [19]
ATP probe
 Probe Info  		K1477(0.00); K1484(0.00); K243(0.00); K245(0.00)  LDD0199  [20]
4-Iodoacetamidophenylacetylene
 Probe Info  		C697(0.00); C744(0.00); C660(0.00); C350(0.00)  LDD0038  [21]
IA-alkyne
 Probe Info  		C697(0.00); C856(0.00); C660(0.00); C1148(0.00)  LDD0032  [22]
IPIAA_H
 Probe Info  		C697(0.00); C623(0.00); C381(0.00); C92(0.00)  LDD0030  [23]
IPIAA_L
 Probe Info  		C856(0.00); C1448(0.00); C381(0.00); C623(0.00)  LDD0031  [23]
Lodoacetamide azide
 Probe Info  		C350(0.00); C697(0.00); C744(0.00); C692(0.00)  LDD0037  [21]
ATP probe
 Probe Info  		K197(0.00); K794(0.00); K939(0.00)  LDD0035  [24]
Dyn-2
 Probe Info  		N.A.  LDD0013  [25]
NAIA_4
 Probe Info  		C744(0.00); C856(0.00); C1076(0.00); C1148(0.00)  LDD2226  [26]
TFBX
 Probe Info  		C1377(0.00); C337(0.00); C336(0.00)  LDD0027  [27]
WYneN
 Probe Info  		C336(0.00); C1487(0.00); C1377(0.00); C744(0.00)  LDD0021  [25]
WYneO
 Probe Info  		C856(0.00); C336(0.00); C337(0.00); C744(0.00)  LDD0022  [25]
DA-P3
 Probe Info  		N.A.  LDD0178  [28]
aHNE
 Probe Info  		C92(0.00); C744(0.00)  LDD0001  [25]
1d-yne
 Probe Info  		K800(0.00); K733(0.00); K987(0.00); K1091(0.00)  LDD0356  [29]
Compound 10
 Probe Info  		C1148(0.00); C1377(0.00); C1487(0.00); C336(0.00)  LDD2216  [30]
Compound 11
 Probe Info  		C744(0.00); C856(0.00)  LDD2213  [30]
ENE
 Probe Info  		C1148(0.00); C744(0.00)  LDD0006  [25]
IPM
 Probe Info  		C1480(0.00); C1148(0.00); C744(0.00); C1487(0.00)  LDD0005  [25]
NHS
 Probe Info  		K1009(0.00); K725(0.00); K1109(0.00); K186(0.00)  LDD0010  [25]
PF-06672131
 Probe Info  		C856(0.00); C1480(0.00)  LDD0017  [31]
SF
 Probe Info  		Y419(0.00); K148(0.00); Y423(0.00); K861(0.00)  LDD0028  [32]
STPyne
 Probe Info  		K861(0.00); K788(0.00); K642(0.00); K435(0.00)  LDD0009  [25]
VSF
 Probe Info  		C856(0.00); C350(0.00); C1487(0.00); C92(0.00)  LDD0007  [25]
Phosphinate-6
 Probe Info  		C1480(0.00); C744(0.00); C1301(0.00); C697(0.00)  LDD0018  [33]
Ox-W18
 Probe Info  		W450(0.00); W545(0.00); W1027(0.00); W1456(0.00)  LDD2175  [34]
1c-yne
 Probe Info  		K870(0.00); K951(0.00); K794(0.00); K733(0.00)  LDD0228  [29]
Acrolein
 Probe Info  		H1423(0.00); C856(0.00); C660(0.00); H1243(0.00)  LDD0217  [35]
Crotonaldehyde
 Probe Info  		C1148(0.00); C336(0.00); H1242(0.00); C1377(0.00)  LDD0219  [35]
Methacrolein
 Probe Info  		C350(0.00); C1148(0.00); C336(0.00); H1243(0.00)  LDD0218  [35]
W1
 Probe Info  		C856(0.00); C1487(0.00); C1480(0.00); C660(0.00)  LDD0236  [36]
AOyne
 Probe Info  		4.50  LDD0443  [37]
NAIA_5
 Probe Info  		C350(0.00); C856(0.00); C359(0.00); C1327(0.00)  LDD2223  [26]
PAL-AfBPP Probe
Click To Hide/Show 13 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C159
 Probe Info  		9.99  LDD1839  [38]
C193
 Probe Info  		5.86  LDD1869  [38]
C257
 Probe Info  		8.46  LDD1930  [38]
C272
 Probe Info  		8.88  LDD1942  [38]
C396
 Probe Info  		9.32  LDD2055  [38]
FFF probe11
 Probe Info  		5.25  LDD0471  [39]
VE-P
 Probe Info  		N.A.  LDD0396  [40]
Alk-rapa
 Probe Info  		3.12  LDD0213  [41]
Diazir
 Probe Info  		N.A.  LDD0011  [25]
Photonaproxen
 Probe Info  		I850(0.00); K1499(0.00)  LDD0156  [42]
DA-2
 Probe Info  		N.A.  LDD0071  [43]
KIRA6 AfBP
 Probe Info  		N.A.  LDD0378  [44]
STS-1
 Probe Info  		N.A.  LDD0068  [45]

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 C1377(0.72); C660(1.14); C744(0.72); C1487(0.55)  LDD2142  [8]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C1377(0.85); C660(1.01); C744(0.81); C1480(0.66)  LDD2112  [8]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C697(0.80); C1377(0.51)  LDD2095  [8]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C1377(0.77); C660(1.02)  LDD2130  [8]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C1377(1.24); C660(0.95); C1148(1.34); C336(0.81)  LDD2117  [8]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C1377(1.34); C336(0.68)  LDD2152  [8]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C1377(1.01); C744(0.87); C1487(1.24)  LDD2103  [8]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C1377(0.53); C1487(0.71)  LDD2132  [8]
 LDCM0025  4SU-RNA HEK-293T C1148(2.13); C856(2.43); C744(2.53); C692(2.05)  LDD0168  [13]
 LDCM0026  4SU-RNA+native RNA HEK-293T C92(3.04); C856(3.03); C744(2.59); C692(3.42)  LDD0169  [13]
 LDCM0561  Abegg_cp(-)-10 HeLa C1148(2.09)  LDD0312  [27]
 LDCM0214  AC1 HCT 116 C105(0.94); C1076(1.17); C1148(1.45); C123(1.18)  LDD0531  [18]
 LDCM0215  AC10 HCT 116 C105(0.85); C1076(0.99); C1148(1.01); C123(0.73)  LDD0532  [18]
 LDCM0216  AC100 HCT 116 C105(0.52); C1076(0.92); C1148(0.89); C1301(0.52)  LDD0533  [18]
 LDCM0217  AC101 HCT 116 C105(0.58); C1076(1.02); C1148(0.87); C1301(0.72)  LDD0534  [18]
 LDCM0218  AC102 HCT 116 C105(0.65); C1076(0.82); C1148(0.94); C1301(0.61)  LDD0535  [18]
 LDCM0219  AC103 HCT 116 C105(0.61); C1076(1.01); C1148(0.85); C1301(0.56)  LDD0536  [18]
 LDCM0220  AC104 HCT 116 C105(0.67); C1076(1.05); C1148(1.19); C1301(0.54)  LDD0537  [18]
 LDCM0221  AC105 HCT 116 C105(0.56); C1076(0.97); C1148(0.82); C1301(0.70)  LDD0538  [18]
 LDCM0222  AC106 HCT 116 C105(0.55); C1076(0.84); C1148(0.68); C1301(0.59)  LDD0539  [18]
 LDCM0223  AC107 HCT 116 C105(0.70); C1076(0.92); C1148(0.88); C1301(0.62)  LDD0540  [18]
 LDCM0224  AC108 HCT 116 C105(0.56); C1076(0.79); C1148(0.87); C1301(0.73)  LDD0541  [18]
 LDCM0225  AC109 HCT 116 C105(0.53); C1076(0.80); C1148(0.73); C1301(0.67)  LDD0542  [18]
 LDCM0226  AC11 HCT 116 C105(0.82); C1076(1.06); C1148(1.13); C123(0.79)  LDD0543  [18]
 LDCM0227  AC110 HCT 116 C105(0.60); C1076(0.90); C1148(0.88); C1301(0.57)  LDD0544  [18]
 LDCM0228  AC111 HCT 116 C105(0.59); C1076(0.94); C1148(0.75); C1301(0.57)  LDD0545  [18]
 LDCM0229  AC112 HCT 116 C105(0.67); C1076(0.89); C1148(0.69); C1301(0.56)  LDD0546  [18]
 LDCM0230  AC113 HCT 116 C105(0.86); C1076(1.04); C1148(1.01); C1301(0.98)  LDD0547  [18]
 LDCM0231  AC114 HCT 116 C105(0.88); C1076(1.09); C1148(0.95); C1301(1.01)  LDD0548  [18]
 LDCM0232  AC115 HCT 116 C105(0.83); C1076(1.14); C1148(0.95); C1301(0.84)  LDD0549  [18]
 LDCM0233  AC116 HCT 116 C105(0.95); C1076(1.04); C1148(1.21); C1301(0.75)  LDD0550  [18]
 LDCM0234  AC117 HCT 116 C105(0.85); C1076(1.03); C1148(1.09); C1301(0.86)  LDD0551  [18]
 LDCM0235  AC118 HCT 116 C105(0.98); C1076(0.95); C1148(1.02); C1301(1.03)  LDD0552  [18]
 LDCM0236  AC119 HCT 116 C105(0.82); C1076(0.89); C1148(1.04); C1301(0.92)  LDD0553  [18]
 LDCM0237  AC12 HCT 116 C105(0.84); C1076(1.02); C1148(0.97); C123(0.89)  LDD0554  [18]
 LDCM0238  AC120 HCT 116 C105(0.93); C1076(1.14); C1148(1.16); C1301(0.57)  LDD0555  [18]
 LDCM0239  AC121 HCT 116 C105(0.83); C1076(0.86); C1148(1.12); C1301(1.15)  LDD0556  [18]
 LDCM0240  AC122 HCT 116 C105(0.96); C1076(0.92); C1148(1.20); C1301(1.15)  LDD0557  [18]
 LDCM0241  AC123 HCT 116 C105(0.84); C1076(1.12); C1148(1.02); C1301(1.19)  LDD0558  [18]
 LDCM0242  AC124 HCT 116 C105(0.84); C1076(1.02); C1148(1.12); C1301(0.91)  LDD0559  [18]
 LDCM0243  AC125 HCT 116 C105(0.79); C1076(0.83); C1148(1.12); C1301(0.91)  LDD0560  [18]
 LDCM0244  AC126 HCT 116 C105(0.80); C1076(1.02); C1148(1.10); C1301(0.87)  LDD0561  [18]
 LDCM0245  AC127 HCT 116 C105(0.75); C1076(0.98); C1148(1.16); C1301(0.73)  LDD0562  [18]
 LDCM0246  AC128 HCT 116 C1076(1.10); C1148(1.32); C1377(0.79); C1448(1.10)  LDD0563  [18]
 LDCM0247  AC129 HCT 116 C1076(0.96); C1148(1.27); C1377(0.93); C1448(1.71)  LDD0564  [18]
 LDCM0249  AC130 HCT 116 C1076(1.02); C1148(1.12); C1377(0.97); C1448(1.37)  LDD0566  [18]
 LDCM0250  AC131 HCT 116 C1076(1.18); C1148(1.07); C1377(1.25); C1448(1.50)  LDD0567  [18]
 LDCM0251  AC132 HCT 116 C1076(0.79); C1148(1.15); C1377(1.15); C1448(1.16)  LDD0568  [18]
 LDCM0252  AC133 HCT 116 C1076(0.96); C1148(1.22); C1377(1.13); C1448(1.43)  LDD0569  [18]
 LDCM0253  AC134 HCT 116 C1076(1.01); C1148(1.09); C1377(0.91); C1448(1.42)  LDD0570  [18]
 LDCM0254  AC135 HCT 116 C1076(0.94); C1148(1.31); C1377(1.01); C1448(1.46)  LDD0571  [18]
 LDCM0255  AC136 HCT 116 C1076(0.97); C1148(1.55); C1377(1.22); C1448(1.34)  LDD0572  [18]
 LDCM0256  AC137 HCT 116 C1076(0.85); C1148(1.41); C1377(1.14); C1448(1.16)  LDD0573  [18]
 LDCM0257  AC138 HCT 116 C1076(0.88); C1148(1.33); C1377(1.15); C1448(1.58)  LDD0574  [18]
 LDCM0258  AC139 HCT 116 C1076(0.92); C1148(1.39); C1377(1.13); C1448(0.91)  LDD0575  [18]
 LDCM0259  AC14 HCT 116 C105(0.99); C1076(1.14); C1148(1.15); C123(0.85)  LDD0576  [18]
 LDCM0260  AC140 HCT 116 C1076(0.90); C1148(1.32); C1377(1.26); C1448(1.01)  LDD0577  [18]
 LDCM0261  AC141 HCT 116 C1076(0.91); C1148(1.30); C1377(1.21); C1448(1.15)  LDD0578  [18]
 LDCM0262  AC142 HCT 116 C1076(0.90); C1148(1.84); C1377(1.21); C1448(1.37)  LDD0579  [18]
 LDCM0263  AC143 HCT 116 C105(0.85); C1076(0.99); C1148(1.21); C1301(1.01)  LDD0580  [18]
 LDCM0264  AC144 HCT 116 C697(0.55); C381(0.56); C336(0.60); C350(0.65)  LDD0581  [18]
 LDCM0265  AC145 HCT 116 C697(0.61); C336(0.66); C381(0.68); C350(0.68)  LDD0582  [18]
 LDCM0266  AC146 HCT 116 C381(0.42); C336(0.57); C697(0.62); C337(0.67)  LDD0583  [18]
 LDCM0267  AC147 HCT 116 C697(0.52); C336(0.58); C381(0.61); C350(0.62)  LDD0584  [18]
 LDCM0268  AC148 HCT 116 C381(0.51); C697(0.55); C336(0.57); C337(0.67)  LDD0585  [18]
 LDCM0269  AC149 HCT 116 C336(0.43); C697(0.53); C337(0.56); C350(0.63)  LDD0586  [18]
 LDCM0270  AC15 HCT 116 C381(0.62); C697(0.68); C123(0.71); C105(0.76)  LDD0587  [18]
 LDCM0271  AC150 HCT 116 C381(0.38); C336(0.58); C337(0.65); C697(0.70)  LDD0588  [18]
 LDCM0272  AC151 HCT 116 C381(0.52); C336(0.58); C337(0.67); C697(0.67)  LDD0589  [18]
 LDCM0273  AC152 HCT 116 C381(0.48); C336(0.54); C697(0.55); C350(0.59)  LDD0590  [18]
 LDCM0274  AC153 HCT 116 C336(0.50); C680(0.58); C381(0.59); C697(0.62)  LDD0591  [18]
 LDCM0621  AC154 HCT 116 C105(0.76); C1076(1.05); C1148(1.26); C1301(0.84)  LDD2158  [18]
 LDCM0622  AC155 HCT 116 C105(0.78); C1076(1.06); C1148(1.08); C1301(0.81)  LDD2159  [18]
 LDCM0623  AC156 HCT 116 C105(1.03); C1076(0.96); C1148(1.13); C1301(0.94)  LDD2160  [18]
 LDCM0624  AC157 HCT 116 C105(0.82); C1076(1.06); C1148(0.89); C1301(1.05)  LDD2161  [18]
 LDCM0276  AC17 HCT 116 C1448(0.40); C1453(0.40); C1480(0.64); C337(0.75)  LDD0593  [18]
 LDCM0277  AC18 HCT 116 C1448(0.64); C1453(0.64); C337(0.73); C336(0.79)  LDD0594  [18]
 LDCM0278  AC19 HCT 116 C1448(0.47); C1453(0.47); C337(0.64); C336(0.68)  LDD0595  [18]
 LDCM0279  AC2 HCT 116 C336(0.69); C337(0.70); C680(0.73); C123(0.75)  LDD0596  [18]
 LDCM0280  AC20 HCT 116 C337(0.66); C336(0.71); C1480(0.75); C697(0.82)  LDD0597  [18]
 LDCM0281  AC21 HCT 116 C1448(0.68); C1453(0.68); C337(0.73); C336(0.85)  LDD0598  [18]
 LDCM0282  AC22 HCT 116 C337(0.81); C336(0.88); C856(0.90); C92(0.92)  LDD0599  [18]
 LDCM0283  AC23 HCT 116 C1448(0.37); C1453(0.37); C337(0.67); C1480(0.70)  LDD0600  [18]
 LDCM0284  AC24 HCT 116 C1448(0.43); C1453(0.43); C1480(0.71); C337(0.72)  LDD0601  [18]
 LDCM0285  AC25 HCT 116 C381(0.36); C1448(0.69); C1453(0.69); C680(0.76)  LDD0602  [18]
 LDCM0286  AC26 HCT 116 C381(0.51); C1448(0.62); C1453(0.62); C692(0.63)  LDD0603  [18]
 LDCM0287  AC27 HCT 116 C381(0.32); C337(0.57); C692(0.66); C350(0.68)  LDD0604  [18]
 LDCM0288  AC28 HCT 116 C381(0.33); C1448(0.59); C1453(0.59); C350(0.65)  LDD0605  [18]
 LDCM0289  AC29 HCT 116 C381(0.32); C697(0.59); C1448(0.61); C1453(0.61)  LDD0606  [18]
 LDCM0290  AC3 HCT 116 C1448(0.76); C1453(0.76); C337(0.79); C336(0.79)  LDD0607  [18]
 LDCM0291  AC30 HCT 116 C381(0.44); C350(0.57); C337(0.60); C692(0.61)  LDD0608  [18]
 LDCM0292  AC31 HCT 116 C381(0.33); C692(0.62); C680(0.65); C1448(0.66)  LDD0609  [18]
 LDCM0293  AC32 HCT 116 C381(0.27); C697(0.51); C680(0.57); C692(0.58)  LDD0610  [18]
 LDCM0294  AC33 HCT 116 C381(0.32); C337(0.56); C336(0.57); C350(0.64)  LDD0611  [18]
 LDCM0295  AC34 HCT 116 C1448(0.42); C1453(0.42); C381(0.46); C692(0.67)  LDD0612  [18]
 LDCM0296  AC35 HCT 116 C1377(0.77); C744(0.87); C692(0.97); C1076(0.99)  LDD0613  [18]
 LDCM0297  AC36 HCT 116 C105(0.92); C1148(0.93); C697(0.96); C1076(0.96)  LDD0614  [18]
 LDCM0298  AC37 HCT 116 C1377(0.88); C697(0.89); C1076(0.94); C680(0.97)  LDD0615  [18]
 LDCM0299  AC38 HCT 116 C1076(0.91); C660(0.92); C336(0.93); C92(0.95)  LDD0616  [18]
 LDCM0300  AC39 HCT 116 C680(0.84); C1487(0.87); C692(0.89); C1076(0.93)  LDD0617  [18]
 LDCM0301  AC4 HCT 116 C336(0.65); C337(0.65); C123(0.72); C105(0.74)  LDD0618  [18]
 LDCM0302  AC40 HCT 116 C680(0.85); C697(0.85); C1487(0.93); C692(0.95)  LDD0619  [18]
 LDCM0303  AC41 HCT 116 C105(0.76); C92(0.84); C680(0.90); C697(0.91)  LDD0620  [18]
 LDCM0304  AC42 HCT 116 C680(0.87); C660(0.88); C105(0.96); C697(0.96)  LDD0621  [18]
 LDCM0305  AC43 HCT 116 C336(0.87); C680(0.96); C1377(0.96); C697(0.97)  LDD0622  [18]
 LDCM0306  AC44 HCT 116 C697(0.82); C680(0.89); C105(0.94); C692(0.97)  LDD0623  [18]
 LDCM0307  AC45 HCT 116 C697(0.80); C680(0.83); C692(0.95); C105(1.01)  LDD0624  [18]
 LDCM0308  AC46 HCT 116 C1301(0.76); C1309(0.76); C1448(0.82); C1453(0.82)  LDD0625  [18]
 LDCM0309  AC47 HCT 116 C1301(0.62); C1309(0.62); C1448(0.71); C1453(0.71)  LDD0626  [18]
 LDCM0310  AC48 HCT 116 C1448(0.34); C1453(0.34); C1487(0.80); C92(0.81)  LDD0627  [18]
 LDCM0311  AC49 HCT 116 C1301(0.62); C1309(0.62); C1448(0.74); C1453(0.74)  LDD0628  [18]
 LDCM0312  AC5 HCT 116 C123(0.68); C697(0.70); C337(0.70); C336(0.71)  LDD0629  [18]
 LDCM0313  AC50 HCT 116 C1301(0.67); C1309(0.67); C660(0.83); C1377(0.88)  LDD0630  [18]
 LDCM0314  AC51 HCT 116 C1448(0.59); C1453(0.59); C856(0.70); C92(0.73)  LDD0631  [18]
 LDCM0315  AC52 HCT 116 C105(0.72); C660(0.82); C1301(0.84); C1309(0.84)  LDD0632  [18]
 LDCM0316  AC53 HCT 116 C1301(0.81); C1309(0.81); C1377(0.83); C1448(0.90)  LDD0633  [18]
 LDCM0317  AC54 HCT 116 C660(0.86); C1301(0.90); C1309(0.90); C105(0.94)  LDD0634  [18]
 LDCM0318  AC55 HCT 116 C680(0.84); C1377(0.90); C1301(0.90); C1309(0.90)  LDD0635  [18]
 LDCM0319  AC56 HCT 116 C1301(0.91); C1309(0.91); C660(0.97); C680(0.98)  LDD0636  [18]
 LDCM0320  AC57 HCT 116 C692(0.67); C680(0.69); C660(0.72); C337(0.76)  LDD0637  [18]
 LDCM0321  AC58 HCT 116 C336(0.64); C337(0.69); C692(0.74); C680(0.75)  LDD0638  [18]
 LDCM0322  AC59 HCT 116 C680(0.61); C692(0.64); C337(0.69); C660(0.71)  LDD0639  [18]
 LDCM0323  AC6 HCT 116 C381(0.54); C336(0.57); C337(0.61); C123(0.63)  LDD0640  [18]
 LDCM0324  AC60 HCT 116 C337(0.65); C680(0.68); C336(0.69); C692(0.77)  LDD0641  [18]
 LDCM0325  AC61 HCT 116 C692(0.74); C680(0.80); C337(0.87); C336(0.91)  LDD0642  [18]
 LDCM0326  AC62 HCT 116 C680(0.64); C337(0.67); C692(0.68); C660(0.68)  LDD0643  [18]
 LDCM0327  AC63 HCT 116 C680(0.67); C692(0.76); C337(0.76); C660(0.81)  LDD0644  [18]
 LDCM0328  AC64 HCT 116 C660(0.72); C1448(0.73); C1453(0.73); C680(0.74)  LDD0645  [18]
 LDCM0329  AC65 HCT 116 C1448(0.41); C1453(0.41); C680(0.47); C692(0.49)  LDD0646  [18]
 LDCM0330  AC66 HCT 116 C1448(0.41); C1453(0.41); C1480(0.53); C1487(0.56)  LDD0647  [18]
 LDCM0331  AC67 HCT 116 C1448(0.39); C1453(0.39); C680(0.47); C1480(0.51)  LDD0648  [18]
 LDCM0332  AC68 HCT 116 C1448(0.84); C1453(0.84); C105(0.92); C1076(0.95)  LDD0649  [18]
 LDCM0333  AC69 HCT 116 C1448(0.86); C1453(0.86); C697(0.91); C105(1.00)  LDD0650  [18]
 LDCM0334  AC7 HCT 116 C697(0.78); C336(0.82); C337(0.84); C123(0.87)  LDD0651  [18]
 LDCM0335  AC70 HCT 116 C1448(0.66); C1453(0.66); C697(0.68); C680(0.81)  LDD0652  [18]
 LDCM0336  AC71 HCT 116 C1448(0.83); C1453(0.83); C105(0.83); C1301(0.93)  LDD0653  [18]
 LDCM0337  AC72 HCT 116 C336(0.76); C337(0.76); C1301(0.77); C1309(0.77)  LDD0654  [18]
 LDCM0338  AC73 HCT 116 C1448(0.82); C1453(0.82); C336(0.89); C337(0.89)  LDD0655  [18]
 LDCM0339  AC74 HCT 116 C1448(0.87); C1453(0.87); C1301(0.88); C1309(0.88)  LDD0656  [18]
 LDCM0340  AC75 HCT 116 C1301(0.82); C1309(0.82); C336(0.88); C337(0.88)  LDD0657  [18]
 LDCM0341  AC76 HCT 116 C697(0.82); C1448(0.89); C1453(0.89); C1301(0.94)  LDD0658  [18]
 LDCM0342  AC77 HCT 116 C697(0.79); C680(0.87); C1301(0.92); C1309(0.92)  LDD0659  [18]
 LDCM0343  AC78 HCT 116 C1448(0.78); C1453(0.78); C1487(0.97); C856(0.98)  LDD0660  [18]
 LDCM0344  AC79 HCT 116 C1448(0.73); C1453(0.73); C1301(0.81); C1309(0.81)  LDD0661  [18]
 LDCM0345  AC8 HCT 116 C336(0.67); C337(0.69); C697(0.77); C660(0.88)  LDD0662  [18]
 LDCM0346  AC80 HCT 116 C697(0.90); C1301(0.91); C1309(0.91); C92(1.01)  LDD0663  [18]
 LDCM0347  AC81 HCT 116 C1448(0.76); C1453(0.76); C856(0.80); C1301(0.99)  LDD0664  [18]
 LDCM0348  AC82 HCT 116 C1448(0.76); C1453(0.76); C680(0.98); C697(0.99)  LDD0665  [18]
 LDCM0349  AC83 HCT 116 C336(0.46); C337(0.52); C697(0.57); C660(0.59)  LDD0666  [18]
 LDCM0350  AC84 HCT 116 C336(0.41); C337(0.47); C697(0.56); C381(0.57)  LDD0667  [18]
 LDCM0351  AC85 HCT 116 C336(0.41); C337(0.51); C697(0.57); C350(0.62)  LDD0668  [18]
 LDCM0352  AC86 HCT 116 C336(0.41); C337(0.44); C697(0.47); C1448(0.58)  LDD0669  [18]
 LDCM0353  AC87 HCT 116 C336(0.62); C337(0.70); C697(0.75); C692(0.81)  LDD0670  [18]
 LDCM0354  AC88 HCT 116 C336(0.44); C337(0.45); C697(0.52); C660(0.55)  LDD0671  [18]
 LDCM0355  AC89 HCT 116 C337(0.39); C336(0.41); C697(0.50); C660(0.55)  LDD0672  [18]
 LDCM0357  AC90 HCT 116 C1448(0.45); C1453(0.45); C336(0.61); C697(0.61)  LDD0674  [18]
 LDCM0358  AC91 HCT 116 C660(0.53); C680(0.54); C337(0.54); C336(0.56)  LDD0675  [18]
 LDCM0359  AC92 HCT 116 C337(0.42); C336(0.45); C381(0.49); C697(0.50)  LDD0676  [18]
 LDCM0360  AC93 HCT 116 C337(0.45); C336(0.46); C350(0.55); C697(0.58)  LDD0677  [18]
 LDCM0361  AC94 HCT 116 C692(0.58); C337(0.60); C1448(0.61); C1453(0.61)  LDD0678  [18]
 LDCM0362  AC95 HCT 116 C336(0.70); C692(0.79); C350(0.98); C1377(1.00)  LDD0679  [18]
 LDCM0363  AC96 HCT 116 C337(0.54); C660(0.57); C381(0.57); C350(0.64)  LDD0680  [18]
 LDCM0364  AC97 HCT 116 C336(0.35); C337(0.41); C697(0.46); C660(0.50)  LDD0681  [18]
 LDCM0365  AC98 HCT 116 C336(0.31); C337(0.37); C680(0.37); C697(0.50)  LDD0682  [18]
 LDCM0366  AC99 HCT 116 C336(0.49); C1448(0.50); C1453(0.50); C337(0.51)  LDD0683  [18]
 LDCM0520  AKOS000195272 MDA-MB-231 C1377(0.85); C1148(0.50); C336(0.93); C1480(0.85)  LDD2113  [8]
 LDCM0248  AKOS034007472 HCT 116 C105(0.87); C1076(0.91); C1148(1.12); C123(0.84)  LDD0565  [18]
 LDCM0356  AKOS034007680 HCT 116 C381(0.74); C697(0.75); C105(0.79); C123(0.83)  LDD0673  [18]
 LDCM0275  AKOS034007705 HCT 116 C336(0.63); C697(0.64); C381(0.65); C337(0.65)  LDD0592  [18]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C1148(0.98); C1377(0.98); C1076(0.97); C105(0.92)  LDD0078  [18]
 LDCM0498  BS-3668 MDA-MB-231 C697(0.91); C1377(0.66); C744(0.52)  LDD2091  [8]
 LDCM0630  CCW28-3 231MFP C92(7.10); C744(1.24)  LDD2214  [46]
 LDCM0108  Chloroacetamide HeLa C856(0.00); C1076(0.00); H1243(0.00); H1423(0.00)  LDD0222  [35]
 LDCM0632  CL-Sc Hep-G2 C1148(1.36); C1076(1.25); C1480(1.13); C660(0.90)  LDD2227  [26]
 LDCM0367  CL1 HCT 116 C1148(0.70); C856(0.81); C1377(0.82); C744(0.89)  LDD0684  [18]
 LDCM0368  CL10 HCT 116 C1377(0.87); C680(0.88); C692(0.93); C1448(0.95)  LDD0685  [18]
 LDCM0369  CL100 HCT 116 C336(0.62); C337(0.64); C123(0.73); C1448(0.75)  LDD0686  [18]
 LDCM0370  CL101 HCT 116 C381(0.53); C123(0.65); C697(0.67); C336(0.70)  LDD0687  [18]
 LDCM0371  CL102 HCT 116 C697(0.73); C123(0.80); C350(0.89); C337(0.92)  LDD0688  [18]
 LDCM0372  CL103 HCT 116 C92(0.83); C350(0.86); C123(0.87); C697(0.89)  LDD0689  [18]
 LDCM0373  CL104 HCT 116 C381(0.76); C123(0.78); C697(0.81); C92(0.86)  LDD0690  [18]
 LDCM0374  CL105 HCT 116 C1448(0.56); C1453(0.56); C337(0.64); C336(0.74)  LDD0691  [18]
 LDCM0375  CL106 HCT 116 C1448(0.56); C1453(0.56); C337(0.80); C350(0.80)  LDD0692  [18]
 LDCM0376  CL107 HCT 116 C1448(0.43); C1453(0.43); C337(0.63); C336(0.71)  LDD0693  [18]
 LDCM0377  CL108 HCT 116 C1448(0.43); C1453(0.43); C337(0.63); C350(0.77)  LDD0694  [18]
 LDCM0378  CL109 HCT 116 C1448(0.48); C1453(0.48); C337(0.61); C336(0.66)  LDD0695  [18]
 LDCM0379  CL11 HCT 116 C1448(0.86); C1453(0.86); C1301(0.88); C1309(0.88)  LDD0696  [18]
 LDCM0380  CL110 HCT 116 C1448(0.46); C1453(0.46); C680(0.56); C337(0.60)  LDD0697  [18]
 LDCM0381  CL111 HCT 116 C336(0.55); C1448(0.56); C1453(0.56); C337(0.60)  LDD0698  [18]
 LDCM0382  CL112 HCT 116 C1448(0.65); C1453(0.65); C381(0.74); C697(0.77)  LDD0699  [18]
 LDCM0383  CL113 HCT 116 C381(0.41); C337(0.58); C692(0.60); C697(0.61)  LDD0700  [18]
 LDCM0384  CL114 HCT 116 C381(0.33); C1448(0.65); C1453(0.65); C697(0.66)  LDD0701  [18]
 LDCM0385  CL115 HCT 116 C381(0.30); C1448(0.56); C1453(0.56); C692(0.61)  LDD0702  [18]
 LDCM0386  CL116 HCT 116 C381(0.26); C1448(0.56); C1453(0.56); C692(0.60)  LDD0703  [18]
 LDCM0387  CL117 HCT 116 C680(0.95); C660(0.96); C336(0.97); C697(1.02)  LDD0704  [18]
 LDCM0388  CL118 HCT 116 C697(0.88); C680(0.90); C692(0.97); C105(0.97)  LDD0705  [18]
 LDCM0389  CL119 HCT 116 C660(0.88); C680(0.88); C697(0.92); C1377(0.95)  LDD0706  [18]
 LDCM0390  CL12 HCT 116 C1148(0.88); C1301(0.97); C1309(0.97); C697(0.99)  LDD0707  [18]
 LDCM0391  CL120 HCT 116 C105(0.79); C697(0.86); C680(0.87); C1076(0.89)  LDD0708  [18]
 LDCM0392  CL121 HCT 116 C692(0.73); C350(0.86); C1377(0.90); C660(0.93)  LDD0709  [18]
 LDCM0393  CL122 HCT 116 C660(0.85); C1448(0.89); C1453(0.89); C336(0.90)  LDD0710  [18]
 LDCM0394  CL123 HCT 116 C1448(0.66); C1453(0.66); C1301(0.77); C1309(0.77)  LDD0711  [18]
 LDCM0395  CL124 HCT 116 C1301(0.62); C1309(0.62); C336(0.89); C1448(0.91)  LDD0712  [18]
 LDCM0396  CL125 HCT 116 C680(0.66); C692(0.70); C336(0.74); C337(0.77)  LDD0713  [18]
 LDCM0397  CL126 HCT 116 C692(0.76); C660(0.77); C1377(0.77); C1480(0.78)  LDD0714  [18]
 LDCM0398  CL127 HCT 116 C680(0.70); C692(0.73); C336(0.79); C337(0.79)  LDD0715  [18]
 LDCM0399  CL128 HCT 116 C680(0.62); C692(0.62); C660(0.71); C1448(0.73)  LDD0716  [18]
 LDCM0400  CL13 HCT 116 C1377(1.05); C1076(1.13); C697(1.13); C1448(1.16)  LDD0717  [18]
 LDCM0401  CL14 HCT 116 C1377(0.90); C856(0.96); C337(0.98); C336(0.98)  LDD0718  [18]
 LDCM0402  CL15 HCT 116 C1148(0.69); C1377(0.97); C697(1.03); C1301(1.09)  LDD0719  [18]
 LDCM0403  CL16 HCT 116 C336(0.70); C337(0.72); C697(0.77); C680(0.79)  LDD0720  [18]
 LDCM0404  CL17 HCT 116 C1377(0.81); C336(0.92); C697(0.93); C744(0.93)  LDD0721  [18]
 LDCM0405  CL18 HCT 116 C1377(0.92); C92(1.02); C744(1.04); C350(1.15)  LDD0722  [18]
 LDCM0406  CL19 HCT 116 C336(0.78); C337(0.81); C660(0.86); C697(0.91)  LDD0723  [18]
 LDCM0407  CL2 HCT 116 C1148(0.75); C744(0.84); C856(0.85); C1377(0.87)  LDD0724  [18]
 LDCM0408  CL20 HCT 116 C660(0.63); C336(0.65); C697(0.72); C337(0.73)  LDD0725  [18]
 LDCM0409  CL21 HCT 116 C697(0.68); C336(0.74); C337(0.75); C660(0.82)  LDD0726  [18]
 LDCM0410  CL22 HCT 116 C1480(0.79); C1448(0.82); C1453(0.82); C336(0.83)  LDD0727  [18]
 LDCM0411  CL23 HCT 116 C336(0.66); C337(0.69); C660(0.73); C1480(0.76)  LDD0728  [18]
 LDCM0412  CL24 HCT 116 C680(0.71); C336(0.72); C660(0.74); C337(0.74)  LDD0729  [18]
 LDCM0413  CL25 HCT 116 C1076(1.18); C1148(1.46); C1301(0.92); C1309(0.92)  LDD0730  [18]
 LDCM0414  CL26 HCT 116 C1076(1.16); C1148(1.10); C1301(0.96); C1309(0.96)  LDD0731  [18]
 LDCM0415  CL27 HCT 116 C1076(0.97); C1148(1.27); C1301(1.08); C1309(1.08)  LDD0732  [18]
 LDCM0416  CL28 HCT 116 C1076(1.25); C1148(1.23); C1301(0.96); C1309(0.96)  LDD0733  [18]
 LDCM0417  CL29 HCT 116 C1076(1.20); C1148(1.13); C1301(0.99); C1309(0.99)  LDD0734  [18]
 LDCM0418  CL3 HCT 116 C105(1.00); C1076(0.95); C1148(0.97); C1301(0.96)  LDD0735  [18]
 LDCM0419  CL30 HCT 116 C1076(1.09); C1148(1.13); C1301(0.98); C1309(0.98)  LDD0736  [18]
 LDCM0420  CL31 HCT 116 C1076(1.07); C1148(1.25); C123(0.88); C1301(1.03)  LDD0737  [18]
 LDCM0421  CL32 HCT 116 C1076(1.31); C1148(1.13); C123(1.58); C1301(1.41)  LDD0738  [18]
 LDCM0422  CL33 HCT 116 C1076(1.20); C1148(0.88); C123(1.06); C1301(1.04)  LDD0739  [18]
 LDCM0423  CL34 HCT 116 C1076(1.29); C1148(1.14); C123(1.03); C1301(0.95)  LDD0740  [18]
 LDCM0424  CL35 HCT 116 C1076(1.38); C1148(1.05); C123(1.24); C1301(0.69)  LDD0741  [18]
 LDCM0425  CL36 HCT 116 C1076(1.34); C1148(0.90); C123(0.96); C1301(0.76)  LDD0742  [18]
 LDCM0426  CL37 HCT 116 C1076(1.38); C1148(1.09); C123(1.03); C1301(0.80)  LDD0743  [18]
 LDCM0428  CL39 HCT 116 C1076(1.15); C1148(1.11); C123(0.95); C1301(0.69)  LDD0745  [18]
 LDCM0429  CL4 HCT 116 C105(1.04); C1076(0.90); C1148(0.68); C1301(1.16)  LDD0746  [18]
 LDCM0430  CL40 HCT 116 C1076(1.22); C1148(1.15); C123(0.85); C1301(1.03)  LDD0747  [18]
 LDCM0431  CL41 HCT 116 C1076(1.28); C1148(0.90); C123(0.91); C1301(0.81)  LDD0748  [18]
 LDCM0432  CL42 HCT 116 C1076(1.73); C1148(1.12); C123(1.26); C1301(0.85)  LDD0749  [18]
 LDCM0433  CL43 HCT 116 C1076(1.47); C1148(1.28); C123(1.16); C1301(0.77)  LDD0750  [18]
 LDCM0434  CL44 HCT 116 C1076(1.39); C1148(1.13); C123(1.06); C1301(0.91)  LDD0751  [18]
 LDCM0435  CL45 HCT 116 C1076(1.45); C1148(1.06); C123(0.91); C1301(0.93)  LDD0752  [18]
 LDCM0436  CL46 HCT 116 C105(0.93); C1076(0.75); C1148(1.08); C1301(1.18)  LDD0753  [18]
 LDCM0437  CL47 HCT 116 C105(0.81); C1076(0.76); C1148(1.04); C1301(1.10)  LDD0754  [18]
 LDCM0438  CL48 HCT 116 C105(0.93); C1076(0.82); C1148(1.15); C1301(1.03)  LDD0755  [18]
 LDCM0439  CL49 HCT 116 C105(0.73); C1076(0.92); C1148(1.10); C1301(0.98)  LDD0756  [18]
 LDCM0440  CL5 HCT 116 C105(0.97); C1076(0.98); C1148(0.56); C1301(1.07)  LDD0757  [18]
 LDCM0441  CL50 HCT 116 C105(0.85); C1076(0.74); C1148(0.97); C1301(1.09)  LDD0758  [18]
 LDCM0442  CL51 HCT 116 C105(0.89); C1076(0.74); C1148(0.95); C1301(1.06)  LDD0759  [18]
 LDCM0443  CL52 HCT 116 C105(0.91); C1076(0.70); C1148(0.85); C1301(1.15)  LDD0760  [18]
 LDCM0444  CL53 HCT 116 C105(0.86); C1076(0.93); C1148(1.10); C1301(0.99)  LDD0761  [18]
 LDCM0445  CL54 HCT 116 C105(0.98); C1076(0.77); C1148(1.12); C1301(1.09)  LDD0762  [18]
 LDCM0446  CL55 HCT 116 C105(0.93); C1076(0.86); C1148(1.08); C1301(1.23)  LDD0763  [18]
 LDCM0447  CL56 HCT 116 C105(0.97); C1076(1.00); C1148(1.17); C1301(0.97)  LDD0764  [18]
 LDCM0448  CL57 HCT 116 C105(0.86); C1076(0.74); C1148(1.09); C1301(1.14)  LDD0765  [18]
 LDCM0449  CL58 HCT 116 C105(0.83); C1076(0.84); C1148(1.04); C1301(1.15)  LDD0766  [18]
 LDCM0450  CL59 HCT 116 C105(0.77); C1076(0.90); C1148(1.09); C1301(0.91)  LDD0767  [18]
 LDCM0451  CL6 HCT 116 C105(1.10); C1076(1.13); C1148(0.93); C1301(1.33)  LDD0768  [18]
 LDCM0452  CL60 HCT 116 C105(0.93); C1076(0.85); C1148(1.07); C1301(0.92)  LDD0769  [18]
 LDCM0453  CL61 HCT 116 C105(1.05); C1076(0.83); C1148(1.11); C123(0.70)  LDD0770  [18]
 LDCM0454  CL62 HCT 116 C105(0.94); C1076(0.79); C1148(1.07); C123(0.70)  LDD0771  [18]
 LDCM0455  CL63 HCT 116 C105(1.01); C1076(0.84); C1148(1.13); C123(0.75)  LDD0772  [18]
 LDCM0456  CL64 HCT 116 C105(0.96); C1076(0.90); C1148(0.99); C123(0.72)  LDD0773  [18]
 LDCM0457  CL65 HCT 116 C105(0.90); C1076(0.82); C1148(1.20); C123(0.71)  LDD0774  [18]
 LDCM0458  CL66 HCT 116 C105(1.05); C1076(1.05); C1148(1.35); C123(0.64)  LDD0775  [18]
 LDCM0459  CL67 HCT 116 C105(0.90); C1076(1.09); C1148(1.05); C123(0.70)  LDD0776  [18]
 LDCM0460  CL68 HCT 116 C105(0.92); C1076(1.02); C1148(1.15); C123(0.70)  LDD0777  [18]
 LDCM0461  CL69 HCT 116 C105(1.14); C1076(0.92); C1148(1.13); C123(0.83)  LDD0778  [18]
 LDCM0462  CL7 HCT 116 C105(1.14); C1076(1.13); C1148(1.58); C1301(0.97)  LDD0779  [18]
 LDCM0463  CL70 HCT 116 C105(0.89); C1076(1.04); C1148(1.06); C123(0.67)  LDD0780  [18]
 LDCM0464  CL71 HCT 116 C105(1.01); C1076(0.81); C1148(1.16); C123(0.68)  LDD0781  [18]
 LDCM0465  CL72 HCT 116 C105(0.88); C1076(0.80); C1148(1.08); C123(0.68)  LDD0782  [18]
 LDCM0466  CL73 HCT 116 C105(0.94); C1076(0.84); C1148(1.33); C123(0.78)  LDD0783  [18]
 LDCM0467  CL74 HCT 116 C105(0.93); C1076(0.84); C1148(0.97); C123(0.86)  LDD0784  [18]
 LDCM0469  CL76 HCT 116 C105(0.92); C1076(1.14); C1148(0.93); C123(0.80)  LDD0786  [18]
 LDCM0470  CL77 HCT 116 C105(1.12); C1076(1.14); C1148(0.98); C123(1.16)  LDD0787  [18]
 LDCM0471  CL78 HCT 116 C105(0.76); C1076(1.10); C1148(1.01); C123(0.74)  LDD0788  [18]
 LDCM0472  CL79 HCT 116 C105(0.94); C1076(1.22); C1148(0.90); C123(0.83)  LDD0789  [18]
 LDCM0473  CL8 HCT 116 C105(1.20); C1076(1.17); C1148(0.59); C1301(0.81)  LDD0790  [18]
 LDCM0474  CL80 HCT 116 C105(1.24); C1076(1.45); C1148(1.28); C123(1.00)  LDD0791  [18]
 LDCM0475  CL81 HCT 116 C105(0.82); C1076(1.03); C1148(1.05); C123(0.78)  LDD0792  [18]
 LDCM0476  CL82 HCT 116 C105(1.10); C1076(1.44); C1148(1.11); C123(0.76)  LDD0793  [18]
 LDCM0477  CL83 HCT 116 C105(0.98); C1076(1.23); C1148(1.08); C123(0.85)  LDD0794  [18]
 LDCM0478  CL84 HCT 116 C105(1.31); C1076(1.48); C1148(1.25); C123(0.94)  LDD0795  [18]
 LDCM0479  CL85 HCT 116 C105(0.89); C1076(1.20); C1148(0.89); C123(0.83)  LDD0796  [18]
 LDCM0480  CL86 HCT 116 C105(0.91); C1076(1.19); C1148(1.12); C123(0.84)  LDD0797  [18]
 LDCM0481  CL87 HCT 116 C105(0.88); C1076(1.14); C1148(0.96); C123(0.94)  LDD0798  [18]
 LDCM0482  CL88 HCT 116 C105(0.98); C1076(1.32); C1148(1.11); C123(0.72)  LDD0799  [18]
 LDCM0483  CL89 HCT 116 C105(1.53); C1076(1.65); C1148(1.27); C123(0.75)  LDD0800  [18]
 LDCM0484  CL9 HCT 116 C105(1.06); C1076(1.09); C1148(1.07); C1301(0.99)  LDD0801  [18]
 LDCM0485  CL90 HCT 116 C105(1.04); C1076(1.02); C1148(0.85); C123(1.19)  LDD0802  [18]
 LDCM0486  CL91 HCT 116 C105(0.80); C1076(1.03); C1148(1.06); C123(0.83)  LDD0803  [18]
 LDCM0487  CL92 HCT 116 C105(0.85); C1076(1.04); C1148(0.99); C123(0.83)  LDD0804  [18]
 LDCM0488  CL93 HCT 116 C105(0.89); C1076(0.98); C1148(1.15); C123(0.91)  LDD0805  [18]
 LDCM0489  CL94 HCT 116 C105(0.91); C1076(1.03); C1148(1.13); C123(0.79)  LDD0806  [18]
 LDCM0490  CL95 HCT 116 C105(0.79); C1076(1.10); C1148(1.09); C123(0.67)  LDD0807  [18]
 LDCM0491  CL96 HCT 116 C105(0.86); C1076(1.04); C1148(1.25); C123(0.75)  LDD0808  [18]
 LDCM0492  CL97 HCT 116 C105(0.88); C1076(1.13); C1148(1.07); C123(0.72)  LDD0809  [18]
 LDCM0493  CL98 HCT 116 C105(0.76); C1076(1.12); C1148(1.14); C123(0.72)  LDD0810  [18]
 LDCM0494  CL99 HCT 116 C105(0.91); C1076(1.07); C1148(1.23); C123(0.70)  LDD0811  [18]
 LDCM0634  CY-0357 Hep-G2 C744(1.49)  LDD2228  [26]
 LDCM0495  E2913 HEK-293T C350(1.04); C1377(0.93); C744(0.88); C660(0.95)  LDD1698  [47]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C337(4.59); C336(3.45); C660(1.14); C1148(1.09)  LDD1702  [8]
 LDCM0175  Ethacrynic acid HeLa C1076(1.23)  LDD2210  [14]
 LDCM0625  F8 Ramos C1377(0.68); 0.83; C350(1.41); C856(0.51)  LDD2187  [48]
 LDCM0572  Fragment10 Ramos C1377(0.64); 0.49; C350(0.56); C856(0.73)  LDD2189  [48]
 LDCM0573  Fragment11 Ramos C1377(0.16); 10.12; C350(0.46); C856(0.14)  LDD2190  [48]
 LDCM0574  Fragment12 Ramos C1377(0.65); 0.56; C350(0.73); C856(0.66)  LDD2191  [48]
 LDCM0575  Fragment13 Ramos C1377(1.63); 0.23; C350(0.95); C856(1.30)  LDD2192  [48]
 LDCM0576  Fragment14 Ramos C1377(0.72); 0.64; C350(0.76); C856(0.94)  LDD2193  [48]
 LDCM0579  Fragment20 Ramos C1377(0.83); 0.43; C350(0.61); C856(0.55)  LDD2194  [48]
 LDCM0580  Fragment21 Ramos C1377(1.20); 0.44; C350(0.73); C856(1.22)  LDD2195  [48]
 LDCM0582  Fragment23 Ramos C1377(0.65); 0.61; C350(0.49); C856(1.85)  LDD2196  [48]
 LDCM0578  Fragment27 Ramos C1377(0.86); 1.61; C350(1.33); C856(1.27)  LDD2197  [48]
 LDCM0586  Fragment28 Ramos C1377(0.97); 0.59; C350(0.60); C856(2.08)  LDD2198  [48]
 LDCM0588  Fragment30 Ramos C1377(1.07); 0.44; C350(1.47); C856(1.00)  LDD2199  [48]
 LDCM0589  Fragment31 Ramos C1377(1.03); 0.79; C350(1.08); C856(2.21)  LDD2200  [48]
 LDCM0590  Fragment32 Ramos C1377(0.50); 0.27; C350(0.95); C856(0.69)  LDD2201  [48]
 LDCM0468  Fragment33 HCT 116 C105(0.95); C1076(0.89); C1148(1.27); C123(0.76)  LDD0785  [18]
 LDCM0596  Fragment38 Ramos C1377(1.33); 0.35; C350(1.16); C856(0.87)  LDD2203  [48]
 LDCM0566  Fragment4 Ramos C1377(1.12); 1.56; C350(0.70); C856(0.77)  LDD2184  [48]
 LDCM0427  Fragment51 HCT 116 C1076(1.56); C1148(0.72); C123(1.15); C1301(0.78)  LDD0744  [18]
 LDCM0610  Fragment52 Ramos C1377(0.83); 0.98; C350(1.41); C856(1.02)  LDD2204  [48]
 LDCM0614  Fragment56 Ramos C1377(0.91); 0.85; C350(0.89); C856(1.02)  LDD2205  [48]
 LDCM0569  Fragment7 Ramos C1377(0.54); 0.97; C350(0.56); C856(0.88)  LDD2186  [48]
 LDCM0571  Fragment9 Ramos C1377(0.72); 0.36; C350(0.68); C856(0.63)  LDD2188  [48]
 LDCM0116  HHS-0101 DM93 Y791(0.30); Y701(0.84); Y399(0.98); Y864(2.83)  LDD0264  [16]
 LDCM0117  HHS-0201 DM93 Y791(0.57); Y701(0.87); Y399(1.11); Y864(15.32)  LDD0265  [16]
 LDCM0118  HHS-0301 DM93 Y791(0.53); Y701(0.71); Y399(0.91)  LDD0266  [16]
 LDCM0119  HHS-0401 DM93 Y791(0.76); Y701(1.00); Y399(1.21); Y864(1.57)  LDD0267  [16]
 LDCM0120  HHS-0701 DM93 Y791(0.60); Y864(0.83); Y701(0.86); Y399(1.77)  LDD0268  [16]
 LDCM0107  IAA HeLa H1243(0.00); H1242(0.00); H1423(0.00); C856(0.00)  LDD0221  [35]
 LDCM0123  JWB131 DM93 Y1127(0.89); Y701(1.02)  LDD0285  [15]
 LDCM0124  JWB142 DM93 Y701(0.88)  LDD0286  [15]
 LDCM0125  JWB146 DM93 Y1127(1.82); Y701(1.02)  LDD0287  [15]
 LDCM0126  JWB150 DM93 Y1127(5.57); Y701(4.39)  LDD0288  [15]
 LDCM0127  JWB152 DM93 Y701(2.11)  LDD0289  [15]
 LDCM0128  JWB198 DM93 Y701(0.54)  LDD0290  [15]
 LDCM0129  JWB202 DM93 Y1127(0.60); Y701(0.72)  LDD0291  [15]
 LDCM0130  JWB211 DM93 Y701(1.10)  LDD0292  [15]
 LDCM0022  KB02 HCT 116 C680(7.09); C336(2.74); C1480(3.75); C1448(1.60)  LDD0080  [18]
 LDCM0023  KB03 HCT 116 C680(6.44); C336(5.00); C1480(3.39); C1448(2.11)  LDD0081  [18]
 LDCM0024  KB05 HCT 116 C680(8.58); C336(4.19); C1480(3.27); C1448(1.93)  LDD0082  [18]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C744(0.89); C1480(1.05)  LDD2102  [8]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C660(1.15); C744(0.58)  LDD2121  [8]
 LDCM0109  NEM HeLa H1243(0.00); H1242(0.00); H1423(0.00); H223(0.00)  LDD0223  [35]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C697(1.12); C1377(0.69)  LDD2089  [8]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C744(1.11); C337(1.63)  LDD2090  [8]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C1377(0.97); C744(0.95); C1487(1.16); C1480(1.15)  LDD2092  [8]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C1377(1.37); C660(1.19); C1148(1.37)  LDD2093  [8]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C1377(1.00); C744(0.93)  LDD2094  [8]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C1377(0.73); C1327(0.61)  LDD2096  [8]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C1377(0.97)  LDD2097  [8]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C1377(0.95); C744(0.95); C1487(1.30)  LDD2098  [8]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C1377(1.07); C1148(1.25); C336(1.22); C1487(0.99)  LDD2099  [8]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C697(0.26); C744(0.83); C1480(0.68)  LDD2100  [8]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C1377(0.80); C660(0.76); C1148(0.96); C336(1.06)  LDD2101  [8]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C1377(0.84); C744(0.87); C1480(0.33)  LDD2104  [8]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C1377(1.47)  LDD2105  [8]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C1377(0.73); C744(0.75)  LDD2106  [8]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C336(1.04); C744(1.01); C1487(0.88); C337(0.92)  LDD2107  [8]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C1377(0.73); C660(0.84); C744(0.74)  LDD2108  [8]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C1377(0.77); C1148(0.74); C744(0.97); C1487(0.78)  LDD2109  [8]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C697(0.14); C1377(1.13); C744(1.41); C1487(1.07)  LDD2110  [8]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C1377(1.05); C660(1.45); C337(0.87)  LDD2111  [8]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C1377(0.75); C744(0.80); C1487(0.45)  LDD2114  [8]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C1377(0.50); C660(1.02); C1148(0.32)  LDD2115  [8]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C1377(0.61)  LDD2116  [8]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C1377(0.72); C744(0.96); C337(0.88)  LDD2118  [8]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C1377(2.20); C1148(1.72)  LDD2119  [8]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C1377(0.80); C1148(0.89); C336(0.70); C744(0.70)  LDD2120  [8]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C1377(0.73); C1148(0.70); C744(0.98)  LDD2122  [8]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C1377(1.63); C1148(1.01); C336(0.91); C744(1.32)  LDD2123  [8]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C1377(0.66); C744(0.93)  LDD2124  [8]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C660(0.89); C1148(1.12); C336(0.86); C337(0.73)  LDD2125  [8]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C744(1.27)  LDD2126  [8]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C1377(1.07); C1148(1.32); C336(0.69); C1487(0.67)  LDD2127  [8]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C1377(0.86); C1148(0.89); C336(1.07); C744(1.00)  LDD2128  [8]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C1377(1.18); C660(1.65); C1148(1.43); C336(0.97)  LDD2129  [8]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C1377(0.58)  LDD2133  [8]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C1377(0.67); C660(0.46); C1148(0.96); C337(0.74)  LDD2134  [8]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C1377(1.12); C660(1.83); C1148(1.73); C336(0.96)  LDD2135  [8]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C1377(1.28); C660(1.95); C1148(1.34); C336(0.93)  LDD2136  [8]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C1377(1.00); C336(0.89); C337(0.68); C1480(1.02)  LDD2137  [8]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C1148(1.80); C1377(1.57)  LDD1700  [8]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C660(1.04); C1148(1.00); C336(1.49); C337(0.85)  LDD2140  [8]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C1377(0.61); C660(1.11); C744(0.70)  LDD2141  [8]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C1377(1.48); C1148(1.09); C336(0.95); C744(0.94)  LDD2143  [8]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C1377(2.65); C1148(2.03)  LDD2144  [8]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C697(0.18); C1487(0.93)  LDD2145  [8]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C1487(0.61); C337(0.80)  LDD2146  [8]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C1377(1.07)  LDD2147  [8]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C1377(0.48); C660(0.54); C1148(0.59); C1480(0.63)  LDD2148  [8]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C1377(0.82); C1148(0.73)  LDD2149  [8]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C1377(0.53); C744(0.46); C856(0.56)  LDD2150  [8]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C1377(1.02); C744(1.59)  LDD2151  [8]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C1377(1.41); C1487(2.70); C1480(3.07)  LDD2153  [8]
 LDCM0627  NUDT7-COV-1 HEK-293T C1301(0.36)  LDD2206  [49]
 LDCM0628  OTUB2-COV-1 HEK-293T C1301(1.04); C381(0.94); C1487(0.94); C1448(0.30)  LDD2207  [49]
 LDCM0131  RA190 MM1.R C1076(1.50); C856(1.30); C744(1.18); C692(1.13)  LDD0304  [50]
 LDCM0090  Rapamycin JHH-7 3.12  LDD0213  [41]
 LDCM0021  THZ1 HeLa S3 C1448(1.14); C1480(1.05)  LDD0460  [12]
 LDCM0112  W16 Hep-G2 C744(0.65)  LDD0239  [36]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Isoleucine--tRNA ligase, cytoplasmic (IARS1) Class-I aminoacyl-tRNA synthetase family P41252
Bifunctional glutamate/proline--tRNA ligase (EPRS1) Class-I aminoacyl-tRNA synthetase family P07814
Lysine--tRNA ligase (KARS1) Class-II aminoacyl-tRNA synthetase family Q15046
Other
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Iron-sulfur cluster co-chaperone protein HscB (HSCB) HscB family Q8IWL3
Condensin-2 complex subunit D3 (NCAPD3) . P42695
Heterogeneous nuclear ribonucleoprotein Q (SYNCRIP) . O60506

The Drug(s) Related To This Target

Approved
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Glutamic Acid Small molecular drug DB00142
Phase 2
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Ht-100 Small molecular drug D0U3KP
Investigative
Click To Hide/Show 4 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Proline Small molecular drug DB00172
5'-o-(L-cysteinylsulfamoyl)Adenosine . DB02684
5'-o-(L-prolylsulfamoyl)Adenosine . DB02510
5'-o-(N-(Alanyl)Sulfamoyl)Adenosine . DB03376

References

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Mass spectrometry data entry: PXD037665
3 Small-Molecule Activity-Based Probe for Monitoring Ubiquitin C-Terminal Hydrolase L1 (UCHL1) Activity in Live Cells and Zebrafish Embryos. J Am Chem Soc. 2020 Sep 30;142(39):16825-16841. doi: 10.1021/jacs.0c07726. Epub 2020 Sep 18.
Mass spectrometry data entry: PXD021557 , PXD015828
4 Proteome-Wide Profiling of Cellular Targets Modified by Dopamine Metabolites Using a Bio-Orthogonally Functionalized Catecholamine. ACS Chem Biol. 2021 Nov 19;16(11):2581-2594. doi: 10.1021/acschembio.1c00629. Epub 2021 Nov 2.
5 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.
6 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.
7 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: PXD039908 , PXD029761
9 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
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Mass spectrometry data entry: PXD042888
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13 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
14 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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16 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.
17 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.
18 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.
19 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
20 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.
21 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
22 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
23 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
24 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
25 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
26 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
27 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
28 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
29 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.
30 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
31 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
32 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
33 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
34 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
35 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.
36 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.
37 Chemoproteomic profiling of targets of lipid-derived electrophiles by bioorthogonal aminooxy probe. Redox Biol. 2017 Aug;12:712-718. doi: 10.1016/j.redox.2017.04.001. Epub 2017 Apr 5.
38 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
39 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.
40 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.
41 Rapamycin targets STAT3 and impacts c-Myc to suppress tumor growth. Cell Chem Biol. 2022 Mar 17;29(3):373-385.e6. doi: 10.1016/j.chembiol.2021.10.006. Epub 2021 Oct 26.
42 Small Molecule Interactome Mapping by Photoaffinity Labeling Reveals Binding Site Hotspots for the NSAIDs. J Am Chem Soc. 2018 Mar 28;140(12):4259-4268. doi: 10.1021/jacs.7b11639. Epub 2018 Mar 15.
Mass spectrometry data entry: PXD007094
43 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: PXD022628
45 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.
46 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.
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Mass spectrometry data entry: PXD044402
48 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
49 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.
50 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.