Details of the Target

General Information of Target

Target ID LDTP03145
Target Name Catechol O-methyltransferase (COMT)
Gene Name COMT
Gene ID 1312
Synonyms
Catechol O-methyltransferase; EC 2.1.1.6
3D Structure
Download
2D Sequence (FASTA)
Download
3D Structure (PDB)
Download
Sequence
MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRIL
NHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCG
YSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKY
DVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFE
CTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
Target Type
Successful
Target Bioclass
Enzyme
Family
Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase family
Subcellular location
Cytoplasm; Cell membrane
Function
Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
TTD ID
T76904
Uniprot ID
P21964
DrugMap ID
TTUJ0G5
Ensemble ID
ENST00000361682.11
HGNC ID
HGNC:2228
ChEMBL ID
CHEMBL2023

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
CAL62 SNV: p.I139M DBIA    Probe Info 
JURKAT SNV: p.V215M Compound 10    Probe Info 
SUPT1 SNV: p.L136F DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 38 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		15.00  LDD0402  [1]
HDSF-alk
 Probe Info  		2.10  LDD0197  [2]
TG42
 Probe Info  		7.69  LDD0326  [3]
TH211
 Probe Info  		Y197(5.80)  LDD0257  [4]
YN-4
 Probe Info  		100.00  LDD0445  [5]
STPyne
 Probe Info  		K212(1.27)  LDD0277  [6]
Probe 1
 Probe Info  		Y197(16.30)  LDD3495  [7]
THZ1-DTB
 Probe Info  		C145(1.11)  LDD0460  [8]
BTD
 Probe Info  		C145(0.51)  LDD2104  [9]
Alkyne-RA190
 Probe Info  		2.38  LDD0300  [10]
EA-probe
 Probe Info  		C119(0.66); C223(0.69)  LDD2210  [11]
DBIA
 Probe Info  		C223(1.06); C238(1.00); C241(1.00)  LDD0078  [12]
5E-2FA
 Probe Info  		N.A.  LDD2235  [13]
ATP probe
 Probe Info  		N.A.  LDD0199  [14]
4-Iodoacetamidophenylacetylene
 Probe Info  		C223(0.00); C83(0.00); C119(0.00); C145(0.00)  LDD0038  [15]
IA-alkyne
 Probe Info  		C223(0.00); C119(0.00); C238(0.00); C207(0.00)  LDD0032  [16]
IPIAA_H
 Probe Info  		N.A.  LDD0030  [17]
IPIAA_L
 Probe Info  		N.A.  LDD0031  [17]
Lodoacetamide azide
 Probe Info  		C223(0.00); C83(0.00); C119(0.00); C145(0.00)  LDD0037  [15]
ATP probe
 Probe Info  		N.A.  LDD0035  [18]
JW-RF-010
 Probe Info  		C223(0.00); C145(0.00)  LDD0026  [19]
NAIA_4
 Probe Info  		C83(0.00); C119(0.00); C223(0.00)  LDD2226  [20]
TFBX
 Probe Info  		C145(0.00); C223(0.00)  LDD0027  [19]
WYneN
 Probe Info  		C223(0.00); C207(0.00)  LDD0021  [21]
aHNE
 Probe Info  		N.A.  LDD0001  [21]
Compound 10
 Probe Info  		C119(0.00); C223(0.00)  LDD2216  [22]
Compound 11
 Probe Info  		N.A.  LDD2213  [22]
IPM
 Probe Info  		C223(0.00); C238(0.00)  LDD0005  [21]
PF-06672131
 Probe Info  		N.A.  LDD0017  [23]
VSF
 Probe Info  		N.A.  LDD0007  [21]
YN-1
 Probe Info  		N.A.  LDD0447  [5]
Phosphinate-6
 Probe Info  		C223(0.00); C119(0.00); C238(0.00); C145(0.00)  LDD0018  [24]
Acrolein
 Probe Info  		C223(0.00); C145(0.00); C241(0.00)  LDD0217  [25]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [25]
Methacrolein
 Probe Info  		N.A.  LDD0218  [25]
W1
 Probe Info  		C83(0.00); C145(0.00); C207(0.00); C223(0.00)  LDD0236  [26]
AOyne
 Probe Info  		15.00  LDD0443  [27]
NAIA_5
 Probe Info  		C207(0.00); C241(0.00); C238(0.00); C223(0.00)  LDD2223  [20]
PAL-AfBPP Probe
Click To Hide/Show 107 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C004
 Probe Info  		5.50  LDD1714  [28]
C027
 Probe Info  		7.89  LDD1733  [28]
C039
 Probe Info  		5.31  LDD1739  [28]
C040
 Probe Info  		14.03  LDD1740  [28]
C049
 Probe Info  		6.06  LDD1747  [28]
C053
 Probe Info  		4.99  LDD1751  [28]
C055
 Probe Info  		13.93  LDD1752  [28]
C056
 Probe Info  		26.54  LDD1753  [28]
C063
 Probe Info  		12.82  LDD1760  [28]
C091
 Probe Info  		18.64  LDD1782  [28]
C092
 Probe Info  		37.27  LDD1783  [28]
C094
 Probe Info  		52.71  LDD1785  [28]
C095
 Probe Info  		5.86  LDD1786  [28]
C106
 Probe Info  		25.28  LDD1793  [28]
C112
 Probe Info  		25.99  LDD1799  [28]
C129
 Probe Info  		5.24  LDD1811  [28]
C131
 Probe Info  		6.96  LDD1813  [28]
C134
 Probe Info  		37.79  LDD1816  [28]
C135
 Probe Info  		10.48  LDD1817  [28]
C139
 Probe Info  		10.78  LDD1821  [28]
C140
 Probe Info  		9.45  LDD1822  [28]
C141
 Probe Info  		9.13  LDD1823  [28]
C143
 Probe Info  		16.00  LDD1825  [28]
C153
 Probe Info  		20.39  LDD1834  [28]
C158
 Probe Info  		10.48  LDD1838  [28]
C159
 Probe Info  		8.22  LDD1839  [28]
C160
 Probe Info  		6.87  LDD1840  [28]
C161
 Probe Info  		20.11  LDD1841  [28]
C166
 Probe Info  		6.87  LDD1846  [28]
C169
 Probe Info  		45.57  LDD1849  [28]
C178
 Probe Info  		18.51  LDD1857  [28]
C183
 Probe Info  		5.50  LDD1861  [28]
C186
 Probe Info  		13.64  LDD1864  [28]
C194
 Probe Info  		9.06  LDD1870  [28]
C196
 Probe Info  		14.22  LDD1872  [28]
C198
 Probe Info  		11.16  LDD1874  [28]
C201
 Probe Info  		46.21  LDD1877  [28]
C206
 Probe Info  		19.84  LDD1881  [28]
C210
 Probe Info  		68.12  LDD1884  [28]
C218
 Probe Info  		17.63  LDD1892  [28]
C219
 Probe Info  		5.24  LDD1893  [28]
C220
 Probe Info  		27.47  LDD1894  [28]
C225
 Probe Info  		6.15  LDD1898  [28]
C228
 Probe Info  		48.50  LDD1901  [28]
C231
 Probe Info  		29.86  LDD1904  [28]
C232
 Probe Info  		76.11  LDD1905  [28]
C233
 Probe Info  		8.82  LDD1906  [28]
C234
 Probe Info  		6.68  LDD1907  [28]
C235
 Probe Info  		36.50  LDD1908  [28]
C238
 Probe Info  		12.64  LDD1911  [28]
C243
 Probe Info  		12.21  LDD1916  [28]
C246
 Probe Info  		24.76  LDD1919  [28]
C251
 Probe Info  		31.78  LDD1924  [28]
C252
 Probe Info  		11.39  LDD1925  [28]
C264
 Probe Info  		18.38  LDD1935  [28]
C265
 Probe Info  		17.39  LDD1936  [28]
C270
 Probe Info  		7.01  LDD1940  [28]
C275
 Probe Info  		5.31  LDD1945  [28]
C277
 Probe Info  		9.92  LDD1947  [28]
C278
 Probe Info  		60.13  LDD1948  [28]
C282
 Probe Info  		15.67  LDD1952  [28]
C285
 Probe Info  		43.41  LDD1955  [28]
C287
 Probe Info  		9.58  LDD1957  [28]
C289
 Probe Info  		52.35  LDD1959  [28]
C293
 Probe Info  		36.50  LDD1963  [28]
C296
 Probe Info  		17.51  LDD1966  [28]
C299
 Probe Info  		9.99  LDD1968  [28]
C305
 Probe Info  		13.36  LDD1974  [28]
C310
 Probe Info  		12.04  LDD1977  [28]
C313
 Probe Info  		38.05  LDD1980  [28]
C339
 Probe Info  		7.21  LDD2002  [28]
C343
 Probe Info  		13.55  LDD2005  [28]
C348
 Probe Info  		26.35  LDD2009  [28]
C349
 Probe Info  		17.03  LDD2010  [28]
C350
 Probe Info  		41.64  LDD2011  [28]
C355
 Probe Info  		27.47  LDD2016  [28]
C356
 Probe Info  		9.25  LDD2017  [28]
C357
 Probe Info  		7.01  LDD2018  [28]
C362
 Probe Info  		72.00  LDD2023  [28]
C363
 Probe Info  		37.01  LDD2024  [28]
C364
 Probe Info  		50.91  LDD2025  [28]
C366
 Probe Info  		7.62  LDD2027  [28]
C382
 Probe Info  		11.71  LDD2041  [28]
C388
 Probe Info  		99.73  LDD2047  [28]
C390
 Probe Info  		57.28  LDD2049  [28]
C403
 Probe Info  		20.82  LDD2061  [28]
C407
 Probe Info  		16.11  LDD2064  [28]
C413
 Probe Info  		69.55  LDD2069  [28]
C420
 Probe Info  		10.85  LDD2075  [28]
C426
 Probe Info  		13.36  LDD2081  [28]
C429
 Probe Info  		11.63  LDD2084  [28]
C431
 Probe Info  		17.51  LDD2086  [28]
C433
 Probe Info  		23.92  LDD2088  [28]
FFF probe11
 Probe Info  		20.00  LDD0471  [29]
FFF probe13
 Probe Info  		20.00  LDD0475  [29]
FFF probe14
 Probe Info  		20.00  LDD0477  [29]
FFF probe15
 Probe Info  		11.46  LDD0478  [29]
FFF probe2
 Probe Info  		20.00  LDD0463  [29]
FFF probe3
 Probe Info  		20.00  LDD0464  [29]
FFF probe4
 Probe Info  		20.00  LDD0466  [29]
JN0003
 Probe Info  		18.52  LDD0469  [29]
STS-2
 Probe Info  		N.A.  LDD0138  [30]
DR-1
 Probe Info  		2.20  LDD0397  [31]
A-DA
 Probe Info  		2.23  LDD0145  [32]
Alk-rapa
 Probe Info  		4.39  LDD0213  [33]
DA-2
 Probe Info  		N.A.  LDD0072  [34]
OEA-DA
 Probe Info  		3.22  LDD0046  [35]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C145(0.76)  LDD2112  [9]
 LDCM0214  AC1 HCT 116 C145(0.91); C207(0.67); C223(1.42); C238(1.30)  LDD0531  [12]
 LDCM0215  AC10 HCT 116 C145(0.95); C207(1.42); C223(1.09); C238(1.28)  LDD0532  [12]
 LDCM0216  AC100 HCT 116 C145(1.19); C223(1.12); C238(1.04); C241(1.00)  LDD0533  [12]
 LDCM0217  AC101 HCT 116 C145(1.22); C223(0.91); C238(1.11); C241(0.91)  LDD0534  [12]
 LDCM0218  AC102 HCT 116 C145(1.19); C223(1.11); C238(1.25); C241(1.01)  LDD0535  [12]
 LDCM0219  AC103 HCT 116 C145(1.14); C223(0.94); C238(1.24); C241(1.26)  LDD0536  [12]
 LDCM0220  AC104 HCT 116 C145(1.23); C223(1.27); C238(1.57); C241(1.25)  LDD0537  [12]
 LDCM0221  AC105 HCT 116 C145(1.21); C223(1.08); C238(1.09); C241(0.99)  LDD0538  [12]
 LDCM0222  AC106 HCT 116 C145(1.22); C223(1.00); C238(1.01); C241(0.91)  LDD0539  [12]
 LDCM0223  AC107 HCT 116 C145(1.04); C223(1.04); C238(1.27); C241(0.96)  LDD0540  [12]
 LDCM0224  AC108 HCT 116 C145(1.13); C223(1.08); C238(0.86); C241(1.07)  LDD0541  [12]
 LDCM0225  AC109 HCT 116 C145(1.22); C223(1.62); C238(0.89); C241(1.18)  LDD0542  [12]
 LDCM0226  AC11 HCT 116 C145(1.06); C207(1.07); C223(1.19); C238(1.32)  LDD0543  [12]
 LDCM0227  AC110 HCT 116 C145(1.12); C223(1.06); C238(1.10); C241(0.90)  LDD0544  [12]
 LDCM0228  AC111 HCT 116 C145(1.16); C223(1.55); C238(0.87); C241(0.90)  LDD0545  [12]
 LDCM0229  AC112 HCT 116 C145(1.54); C223(1.07); C238(1.22); C241(1.01)  LDD0546  [12]
 LDCM0230  AC113 HCT 116 C145(1.05); C238(0.92); C241(0.92)  LDD0547  [12]
 LDCM0231  AC114 HCT 116 C145(0.76); C238(1.12); C241(1.15)  LDD0548  [12]
 LDCM0232  AC115 HCT 116 C145(0.94); C238(1.12); C241(1.08)  LDD0549  [12]
 LDCM0233  AC116 HCT 116 C145(1.14); C238(1.18); C241(1.09)  LDD0550  [12]
 LDCM0234  AC117 HCT 116 C145(1.07); C238(0.98); C241(1.02)  LDD0551  [12]
 LDCM0235  AC118 HCT 116 C145(0.91); C238(1.15); C241(1.07)  LDD0552  [12]
 LDCM0236  AC119 HCT 116 C145(1.21); C238(1.20); C241(1.07)  LDD0553  [12]
 LDCM0237  AC12 HCT 116 C145(0.93); C207(0.94); C223(1.06); C238(1.14)  LDD0554  [12]
 LDCM0238  AC120 HCT 116 C145(0.87); C238(1.41); C241(1.32)  LDD0555  [12]
 LDCM0239  AC121 HCT 116 C145(0.83); C238(0.99); C241(1.12)  LDD0556  [12]
 LDCM0240  AC122 HCT 116 C145(0.93); C238(0.91); C241(0.95)  LDD0557  [12]
 LDCM0241  AC123 HCT 116 C145(0.86); C238(1.20); C241(1.48)  LDD0558  [12]
 LDCM0242  AC124 HCT 116 C145(1.05); C238(1.20); C241(1.65)  LDD0559  [12]
 LDCM0243  AC125 HCT 116 C145(0.83); C238(1.25); C241(0.96)  LDD0560  [12]
 LDCM0244  AC126 HCT 116 C145(0.91); C238(1.16); C241(1.20)  LDD0561  [12]
 LDCM0245  AC127 HCT 116 C145(1.19); C238(1.04); C241(1.09)  LDD0562  [12]
 LDCM0246  AC128 HCT 116 C223(1.05); C238(1.19)  LDD0563  [12]
 LDCM0247  AC129 HCT 116 C223(0.77); C238(0.70)  LDD0564  [12]
 LDCM0249  AC130 HCT 116 C223(1.00); C238(0.78)  LDD0566  [12]
 LDCM0250  AC131 HCT 116 C223(1.18); C238(0.83)  LDD0567  [12]
 LDCM0251  AC132 HCT 116 C223(0.97); C238(0.64)  LDD0568  [12]
 LDCM0252  AC133 HCT 116 C223(0.94); C238(0.84)  LDD0569  [12]
 LDCM0253  AC134 HCT 116 C223(1.14); C238(1.27)  LDD0570  [12]
 LDCM0254  AC135 HCT 116 C223(1.04); C238(0.80)  LDD0571  [12]
 LDCM0255  AC136 HCT 116 C223(1.01); C238(1.03)  LDD0572  [12]
 LDCM0256  AC137 HCT 116 C223(0.87); C238(0.95)  LDD0573  [12]
 LDCM0257  AC138 HCT 116 C223(0.90); C238(1.22)  LDD0574  [12]
 LDCM0258  AC139 HCT 116 C223(0.88); C238(0.96)  LDD0575  [12]
 LDCM0259  AC14 HCT 116 C145(1.03); C207(1.16); C223(1.29); C238(1.07)  LDD0576  [12]
 LDCM0260  AC140 HCT 116 C223(1.07); C238(1.08)  LDD0577  [12]
 LDCM0261  AC141 HCT 116 C223(0.94); C238(0.96)  LDD0578  [12]
 LDCM0262  AC142 HCT 116 C223(0.81); C238(0.97)  LDD0579  [12]
 LDCM0263  AC143 HCT 116 C145(1.02); C207(0.80); C223(1.09); C238(1.10)  LDD0580  [12]
 LDCM0264  AC144 HCT 116 C207(0.32); C145(1.03); C241(1.09); C238(1.22)  LDD0581  [12]
 LDCM0265  AC145 HCT 116 C207(0.71); C241(0.77); C238(1.06); C223(1.14)  LDD0582  [12]
 LDCM0266  AC146 HCT 116 C207(0.40); C241(0.92); C145(1.01); C238(1.33)  LDD0583  [12]
 LDCM0267  AC147 HCT 116 C207(0.27); C145(0.93); C241(1.13); C223(1.32)  LDD0584  [12]
 LDCM0268  AC148 HCT 116 C207(0.11); C145(0.94); C241(1.05); C223(1.50)  LDD0585  [12]
 LDCM0269  AC149 HCT 116 C207(0.26); C241(0.91); C145(1.03); C238(1.30)  LDD0586  [12]
 LDCM0270  AC15 HCT 116 C145(1.00); C223(1.15); C238(1.19); C241(1.21)  LDD0587  [12]
 LDCM0271  AC150 HCT 116 C145(0.92); C241(1.02); C207(1.12); C223(1.14)  LDD0588  [12]
 LDCM0272  AC151 HCT 116 C207(0.79); C241(0.88); C145(0.94); C238(1.02)  LDD0589  [12]
 LDCM0273  AC152 HCT 116 C207(0.26); C241(1.15); C145(1.15); C238(1.34)  LDD0590  [12]
 LDCM0274  AC153 HCT 116 C207(0.10); C145(1.01); C241(1.07); C223(1.37)  LDD0591  [12]
 LDCM0621  AC154 HCT 116 C145(1.01); C207(0.37); C223(1.29); C238(1.30)  LDD2158  [12]
 LDCM0622  AC155 HCT 116 C145(0.93); C207(0.53); C223(1.32); C238(1.02)  LDD2159  [12]
 LDCM0623  AC156 HCT 116 C145(0.89); C207(0.73); C223(1.05); C238(1.01)  LDD2160  [12]
 LDCM0624  AC157 HCT 116 C145(1.01); C207(1.03); C223(1.15); C238(1.03)  LDD2161  [12]
 LDCM0276  AC17 HCT 116 C238(0.89); C207(0.95); C241(0.95); C223(0.99)  LDD0593  [12]
 LDCM0277  AC18 HCT 116 C207(0.60); C145(0.78); C241(0.92); C238(1.18)  LDD0594  [12]
 LDCM0278  AC19 HCT 116 C207(0.95); C238(1.04); C241(1.17); C223(1.26)  LDD0595  [12]
 LDCM0279  AC2 HCT 116 C145(0.89); C207(0.91); C241(0.92); C238(1.26)  LDD0596  [12]
 LDCM0280  AC20 HCT 116 C241(0.67); C238(1.12); C223(1.25); C207(1.28)  LDD0597  [12]
 LDCM0281  AC21 HCT 116 C241(0.66); C207(0.98); C238(1.07); C145(1.23)  LDD0598  [12]
 LDCM0282  AC22 HCT 116 C238(0.95); C145(0.99); C241(1.02); C223(1.08)  LDD0599  [12]
 LDCM0283  AC23 HCT 116 C241(0.94); C238(0.99); C207(1.10); C223(1.17)  LDD0600  [12]
 LDCM0284  AC24 HCT 116 C145(1.07); C223(1.12); C241(1.17); C238(1.38)  LDD0601  [12]
 LDCM0285  AC25 HCT 116 C241(0.60); C207(0.84); C238(0.84); C223(0.99)  LDD0602  [12]
 LDCM0286  AC26 HCT 116 C207(0.74); C241(0.80); C223(1.02); C238(1.02)  LDD0603  [12]
 LDCM0287  AC27 HCT 116 C207(0.67); C241(0.73); C238(1.00); C223(1.18)  LDD0604  [12]
 LDCM0288  AC28 HCT 116 C207(0.69); C241(0.81); C145(1.14); C238(1.22)  LDD0605  [12]
 LDCM0289  AC29 HCT 116 C241(0.56); C207(0.63); C238(0.89); C223(1.14)  LDD0606  [12]
 LDCM0290  AC3 HCT 116 C241(0.75); C145(0.88); C238(0.93); C207(0.96)  LDD0607  [12]
 LDCM0291  AC30 HCT 116 C241(0.59); C207(0.63); C238(1.12); C223(1.13)  LDD0608  [12]
 LDCM0292  AC31 HCT 116 C207(0.61); C241(0.79); C223(0.94); C238(1.09)  LDD0609  [12]
 LDCM0293  AC32 HCT 116 C207(0.56); C241(0.62); C238(1.21); C223(1.26)  LDD0610  [12]
 LDCM0294  AC33 HCT 116 C207(0.53); C241(0.67); C238(1.06); C145(1.15)  LDD0611  [12]
 LDCM0295  AC34 HCT 116 C207(0.49); C241(0.63); C145(1.31); C238(1.34)  LDD0612  [12]
 LDCM0296  AC35 HCT 116 C145(0.88); C238(1.18); C207(1.70)  LDD0613  [12]
 LDCM0297  AC36 HCT 116 C145(1.08); C238(1.14); C207(1.25)  LDD0614  [12]
 LDCM0298  AC37 HCT 116 C238(0.73); C145(0.85); C207(1.34)  LDD0615  [12]
 LDCM0299  AC38 HCT 116 C238(0.70); C145(1.00); C207(1.38)  LDD0616  [12]
 LDCM0300  AC39 HCT 116 C145(0.92); C207(1.00); C238(1.13)  LDD0617  [12]
 LDCM0301  AC4 HCT 116 C207(0.84); C241(0.88); C238(0.99); C145(1.08)  LDD0618  [12]
 LDCM0302  AC40 HCT 116 C207(0.62); C145(1.03); C238(1.31)  LDD0619  [12]
 LDCM0303  AC41 HCT 116 C145(0.88); C238(1.00); C207(1.25)  LDD0620  [12]
 LDCM0304  AC42 HCT 116 C207(0.84); C145(1.01); C238(1.09)  LDD0621  [12]
 LDCM0305  AC43 HCT 116 C207(0.94); C145(0.97); C238(1.12)  LDD0622  [12]
 LDCM0306  AC44 HCT 116 C207(0.92); C238(0.95); C145(1.05)  LDD0623  [12]
 LDCM0307  AC45 HCT 116 C207(0.63); C145(0.90); C238(1.05)  LDD0624  [12]
 LDCM0308  AC46 HCT 116 C145(0.84); C238(0.90); C241(0.91); C207(1.11)  LDD0625  [12]
 LDCM0309  AC47 HCT 116 C238(0.73); C241(0.90); C207(0.92); C223(0.93)  LDD0626  [12]
 LDCM0310  AC48 HCT 116 C238(0.69); C241(0.86); C207(0.91); C145(0.98)  LDD0627  [12]
 LDCM0311  AC49 HCT 116 C207(0.37); C241(0.68); C145(0.99); C223(1.18)  LDD0628  [12]
 LDCM0312  AC5 HCT 116 C241(0.80); C207(0.82); C145(0.94); C238(1.33)  LDD0629  [12]
 LDCM0313  AC50 HCT 116 C207(0.43); C145(0.88); C241(1.00); C238(1.07)  LDD0630  [12]
 LDCM0314  AC51 HCT 116 C238(0.66); C241(0.71); C145(0.91); C223(1.18)  LDD0631  [12]
 LDCM0315  AC52 HCT 116 C238(0.85); C145(0.91); C241(0.92); C223(1.03)  LDD0632  [12]
 LDCM0316  AC53 HCT 116 C207(0.58); C223(0.88); C238(0.92); C241(0.95)  LDD0633  [12]
 LDCM0317  AC54 HCT 116 C207(0.55); C241(0.80); C145(1.00); C223(1.11)  LDD0634  [12]
 LDCM0318  AC55 HCT 116 C207(0.38); C223(0.82); C241(1.00); C145(1.18)  LDD0635  [12]
 LDCM0319  AC56 HCT 116 C207(0.28); C145(0.95); C223(1.08); C241(1.15)  LDD0636  [12]
 LDCM0320  AC57 HCT 116 C238(0.71); C241(0.75); C207(0.87); C145(1.01)  LDD0637  [12]
 LDCM0321  AC58 HCT 116 C241(0.81); C207(0.84); C238(0.85); C223(1.10)  LDD0638  [12]
 LDCM0322  AC59 HCT 116 C241(0.66); C238(0.67); C207(0.70); C145(0.93)  LDD0639  [12]
 LDCM0323  AC6 HCT 116 C207(0.98); C145(0.99); C238(1.21); C223(1.39)  LDD0640  [12]
 LDCM0324  AC60 HCT 116 C241(0.66); C207(0.70); C238(0.73); C145(0.92)  LDD0641  [12]
 LDCM0325  AC61 HCT 116 C238(0.85); C241(0.89); C223(1.08); C207(1.11)  LDD0642  [12]
 LDCM0326  AC62 HCT 116 C238(0.60); C241(0.61); C207(0.66); C223(1.00)  LDD0643  [12]
 LDCM0327  AC63 HCT 116 C241(0.69); C238(0.72); C145(0.92); C223(0.92)  LDD0644  [12]
 LDCM0328  AC64 HCT 116 C207(0.71); C238(0.78); C241(0.79); C223(1.11)  LDD0645  [12]
 LDCM0329  AC65 HCT 116 C241(0.71); C238(0.73); C207(0.99); C145(1.25)  LDD0646  [12]
 LDCM0330  AC66 HCT 116 C241(0.79); C238(0.79); C145(1.15); C223(1.34)  LDD0647  [12]
 LDCM0331  AC67 HCT 116 C207(0.42); C238(0.63); C241(0.65); C223(1.05)  LDD0648  [12]
 LDCM0332  AC68 HCT 116 C145(0.59); C223(1.00); C207(1.12); C238(1.17)  LDD0649  [12]
 LDCM0333  AC69 HCT 116 C145(0.60); C207(0.65); C223(0.81); C241(1.11)  LDD0650  [12]
 LDCM0334  AC7 HCT 116 C145(0.87); C223(1.12); C238(1.16); C207(1.33)  LDD0651  [12]
 LDCM0335  AC70 HCT 116 C207(0.52); C145(0.85); C241(0.98); C223(0.99)  LDD0652  [12]
 LDCM0336  AC71 HCT 116 C145(0.80); C223(0.83); C241(1.01); C238(1.03)  LDD0653  [12]
 LDCM0337  AC72 HCT 116 C145(0.75); C241(0.83); C207(0.86); C223(0.93)  LDD0654  [12]
 LDCM0338  AC73 HCT 116 C207(0.44); C145(0.76); C241(0.78); C223(0.93)  LDD0655  [12]
 LDCM0339  AC74 HCT 116 C207(0.53); C145(0.75); C241(0.83); C223(0.88)  LDD0656  [12]
 LDCM0340  AC75 HCT 116 C207(0.40); C145(0.52); C241(0.70); C223(0.91)  LDD0657  [12]
 LDCM0341  AC76 HCT 116 C145(0.59); C207(0.74); C241(0.83); C223(0.83)  LDD0658  [12]
 LDCM0342  AC77 HCT 116 C207(0.71); C145(0.75); C223(0.86); C241(0.87)  LDD0659  [12]
 LDCM0343  AC78 HCT 116 C145(0.72); C207(0.79); C223(0.95); C238(1.02)  LDD0660  [12]
 LDCM0344  AC79 HCT 116 C145(0.57); C241(1.06); C223(1.08); C238(1.12)  LDD0661  [12]
 LDCM0345  AC8 HCT 116 C207(0.97); C145(1.06); C241(1.11); C223(1.31)  LDD0662  [12]
 LDCM0346  AC80 HCT 116 C207(0.67); C223(0.75); C145(0.88); C241(1.03)  LDD0663  [12]
 LDCM0347  AC81 HCT 116 C207(0.41); C145(0.89); C223(0.91); C241(1.36)  LDD0664  [12]
 LDCM0348  AC82 HCT 116 C207(0.44); C241(0.80); C145(0.82); C223(0.99)  LDD0665  [12]
 LDCM0349  AC83 HCT 116 C241(0.82); C223(1.80); C145(1.85); C238(1.88)  LDD0666  [12]
 LDCM0350  AC84 HCT 116 C241(0.83); C145(1.10); C223(1.21); C238(1.73)  LDD0667  [12]
 LDCM0351  AC85 HCT 116 C241(0.82); C223(0.96); C238(1.16); C145(1.17)  LDD0668  [12]
 LDCM0352  AC86 HCT 116 C241(0.96); C238(0.97); C223(1.07); C145(2.11)  LDD0669  [12]
 LDCM0353  AC87 HCT 116 C241(0.89); C223(0.93); C238(1.22); C145(1.82)  LDD0670  [12]
 LDCM0354  AC88 HCT 116 C241(0.98); C238(1.05); C223(1.13); C145(1.73)  LDD0671  [12]
 LDCM0355  AC89 HCT 116 C241(0.84); C238(0.86); C223(1.42); C145(1.67)  LDD0672  [12]
 LDCM0357  AC90 HCT 116 C238(0.48); C241(0.73); C223(1.04); C145(1.36)  LDD0674  [12]
 LDCM0358  AC91 HCT 116 C241(0.69); C223(1.22); C238(1.60); C145(1.73)  LDD0675  [12]
 LDCM0359  AC92 HCT 116 C241(0.73); C238(0.79); C223(1.04); C145(1.49)  LDD0676  [12]
 LDCM0360  AC93 HCT 116 C241(0.74); C238(0.78); C223(1.17); C145(1.89)  LDD0677  [12]
 LDCM0361  AC94 HCT 116 C241(0.80); C223(1.11); C238(1.29); C145(1.50)  LDD0678  [12]
 LDCM0362  AC95 HCT 116 C241(0.80); C223(0.84); C238(0.92); C145(1.65)  LDD0679  [12]
 LDCM0363  AC96 HCT 116 C241(0.64); C238(0.96); C145(1.41); C223(1.61)  LDD0680  [12]
 LDCM0364  AC97 HCT 116 C241(0.71); C223(1.19); C238(1.24); C145(1.90)  LDD0681  [12]
 LDCM0365  AC98 HCT 116 C223(1.02); C241(1.07); C145(1.18); C238(3.45)  LDD0682  [12]
 LDCM0366  AC99 HCT 116 C238(0.89); C223(0.99); C241(1.07); C145(1.16)  LDD0683  [12]
 LDCM0248  AKOS034007472 HCT 116 C145(0.98); C207(1.17); C223(0.98); C238(1.00)  LDD0565  [12]
 LDCM0356  AKOS034007680 HCT 116 C145(0.98); C223(1.12); C241(1.16); C207(1.29)  LDD0673  [12]
 LDCM0275  AKOS034007705 HCT 116 C207(0.98); C145(1.00); C241(1.10); C223(1.36)  LDD0592  [12]
 LDCM0156  Aniline NCI-H1299 12.35  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C223(1.06); C238(1.00); C241(1.00)  LDD0078  [12]
 LDCM0630  CCW28-3 231MFP C223(1.37); C238(1.28); C119(0.81)  LDD2214  [36]
 LDCM0108  Chloroacetamide HeLa C83(0.00); C223(0.00); C207(0.00); C145(0.00)  LDD0222  [25]
 LDCM0632  CL-Sc Hep-G2 C119(20.00); C223(1.60); C223(1.05); C145(1.04)  LDD2227  [20]
 LDCM0367  CL1 HCT 116 C238(0.82); C223(0.83); C241(0.84); C145(1.13)  LDD0684  [12]
 LDCM0368  CL10 HCT 116 C207(0.50); C223(1.09); C238(1.11); C145(1.14)  LDD0685  [12]
 LDCM0369  CL100 HCT 116 C207(0.76); C241(0.82); C145(0.93); C238(0.94)  LDD0686  [12]
 LDCM0370  CL101 HCT 116 C241(1.07); C145(1.11); C207(1.19); C223(1.35)  LDD0687  [12]
 LDCM0371  CL102 HCT 116 C241(0.93); C145(0.96); C223(1.03); C238(1.07)  LDD0688  [12]
 LDCM0372  CL103 HCT 116 C145(1.01); C207(1.10); C223(1.17); C238(1.23)  LDD0689  [12]
 LDCM0373  CL104 HCT 116 C223(1.02); C145(1.07); C241(1.19); C238(1.20)  LDD0690  [12]
 LDCM0374  CL105 HCT 116 C207(0.64); C145(1.04); C238(1.11); C241(1.13)  LDD0691  [12]
 LDCM0375  CL106 HCT 116 C207(0.40); C241(1.05); C145(1.53); C238(1.65)  LDD0692  [12]
 LDCM0376  CL107 HCT 116 C207(0.48); C241(1.07); C145(1.19); C238(1.24)  LDD0693  [12]
 LDCM0377  CL108 HCT 116 C207(0.36); C241(1.17); C145(1.27); C238(1.34)  LDD0694  [12]
 LDCM0378  CL109 HCT 116 C207(0.73); C241(1.01); C238(1.07); C223(1.26)  LDD0695  [12]
 LDCM0379  CL11 HCT 116 C207(0.40); C241(0.96); C238(1.06); C145(1.18)  LDD0696  [12]
 LDCM0380  CL110 HCT 116 C207(0.45); C241(1.00); C238(1.24); C223(1.50)  LDD0697  [12]
 LDCM0381  CL111 HCT 116 C207(0.82); C241(0.93); C238(1.08); C223(1.11)  LDD0698  [12]
 LDCM0382  CL112 HCT 116 C207(0.83); C145(0.84); C241(0.90); C223(0.94)  LDD0699  [12]
 LDCM0383  CL113 HCT 116 C207(0.50); C241(0.74); C238(1.27); C145(1.28)  LDD0700  [12]
 LDCM0384  CL114 HCT 116 C207(0.51); C241(0.77); C145(0.85); C223(1.18)  LDD0701  [12]
 LDCM0385  CL115 HCT 116 C241(0.54); C207(0.69); C223(1.23); C238(1.28)  LDD0702  [12]
 LDCM0386  CL116 HCT 116 C207(0.73); C241(0.80); C238(0.96); C223(1.31)  LDD0703  [12]
 LDCM0387  CL117 HCT 116 C207(0.35); C145(0.90); C238(2.87)  LDD0704  [12]
 LDCM0388  CL118 HCT 116 C145(0.95); C207(0.99); C238(1.25)  LDD0705  [12]
 LDCM0389  CL119 HCT 116 C207(0.90); C145(1.04); C238(1.76)  LDD0706  [12]
 LDCM0390  CL12 HCT 116 C207(0.41); C241(1.10); C145(1.16); C223(1.30)  LDD0707  [12]
 LDCM0391  CL120 HCT 116 C238(0.72); C145(0.82); C207(1.10)  LDD0708  [12]
 LDCM0392  CL121 HCT 116 C241(0.76); C207(0.79); C238(0.93); C145(0.94)  LDD0709  [12]
 LDCM0393  CL122 HCT 116 C145(0.63); C207(0.70); C223(1.01); C241(1.12)  LDD0710  [12]
 LDCM0394  CL123 HCT 116 C207(0.46); C145(0.57); C241(0.91); C238(1.01)  LDD0711  [12]
 LDCM0395  CL124 HCT 116 C207(0.44); C241(0.73); C145(1.00); C223(1.16)  LDD0712  [12]
 LDCM0396  CL125 HCT 116 C241(0.73); C238(0.77); C145(0.96); C223(0.98)  LDD0713  [12]
 LDCM0397  CL126 HCT 116 C241(0.68); C238(0.75); C223(0.95); C145(1.12)  LDD0714  [12]
 LDCM0398  CL127 HCT 116 C241(0.69); C238(0.75); C145(1.02); C223(1.07)  LDD0715  [12]
 LDCM0399  CL128 HCT 116 C238(0.66); C241(0.67); C207(0.84); C145(1.07)  LDD0716  [12]
 LDCM0400  CL13 HCT 116 C207(0.61); C238(1.14); C145(1.15); C223(1.22)  LDD0717  [12]
 LDCM0401  CL14 HCT 116 C238(0.81); C207(0.89); C223(0.96); C145(1.09)  LDD0718  [12]
 LDCM0402  CL15 HCT 116 C207(0.64); C145(0.85); C223(1.14); C241(1.17)  LDD0719  [12]
 LDCM0403  CL16 HCT 116 C207(0.87); C223(0.97); C145(1.09); C238(1.19)  LDD0720  [12]
 LDCM0404  CL17 HCT 116 C207(0.56); C145(0.76); C223(0.95); C241(1.18)  LDD0721  [12]
 LDCM0405  CL18 HCT 116 C207(0.63); C223(1.07); C145(1.09); C238(1.12)  LDD0722  [12]
 LDCM0406  CL19 HCT 116 C207(0.45); C145(1.03); C223(1.11); C241(1.17)  LDD0723  [12]
 LDCM0407  CL2 HCT 116 C238(0.81); C223(0.89); C241(1.01); C145(1.17)  LDD0724  [12]
 LDCM0408  CL20 HCT 116 C207(0.42); C145(1.05); C238(1.14); C241(1.16)  LDD0725  [12]
 LDCM0409  CL21 HCT 116 C207(0.31); C145(0.94); C241(0.96); C238(1.05)  LDD0726  [12]
 LDCM0410  CL22 HCT 116 C207(0.18); C241(0.94); C145(1.18); C238(1.27)  LDD0727  [12]
 LDCM0411  CL23 HCT 116 C207(0.55); C145(0.87); C223(1.09); C238(1.19)  LDD0728  [12]
 LDCM0412  CL24 HCT 116 C207(0.31); C241(1.02); C145(1.03); C238(1.14)  LDD0729  [12]
 LDCM0413  CL25 HCT 116 C145(0.89); C207(0.41); C223(1.16); C238(0.98)  LDD0730  [12]
 LDCM0414  CL26 HCT 116 C145(1.08); C207(0.60); C223(1.01); C238(1.31)  LDD0731  [12]
 LDCM0415  CL27 HCT 116 C145(1.03); C207(0.53); C223(1.09); C238(1.13)  LDD0732  [12]
 LDCM0416  CL28 HCT 116 C145(1.03); C207(0.50); C223(1.21); C238(1.18)  LDD0733  [12]
 LDCM0417  CL29 HCT 116 C145(1.05); C207(0.44); C223(1.28); C238(1.08)  LDD0734  [12]
 LDCM0418  CL3 HCT 116 C145(0.99); C207(1.17); C223(0.94); C238(0.95)  LDD0735  [12]
 LDCM0419  CL30 HCT 116 C145(0.87); C207(0.73); C223(1.06); C238(1.00)  LDD0736  [12]
 LDCM0420  CL31 HCT 116 C145(0.84); C223(1.10); C238(1.03); C241(0.90)  LDD0737  [12]
 LDCM0421  CL32 HCT 116 C145(0.95); C223(1.11); C238(1.03); C241(0.74)  LDD0738  [12]
 LDCM0422  CL33 HCT 116 C145(0.87); C223(0.93); C238(1.02); C241(0.77)  LDD0739  [12]
 LDCM0423  CL34 HCT 116 C145(0.99); C223(1.29); C238(1.32); C241(1.07)  LDD0740  [12]
 LDCM0424  CL35 HCT 116 C145(0.91); C223(1.21); C238(1.46); C241(1.00)  LDD0741  [12]
 LDCM0425  CL36 HCT 116 C145(0.91); C223(1.21); C238(1.18); C241(0.94)  LDD0742  [12]
 LDCM0426  CL37 HCT 116 C145(0.84); C223(1.27); C238(1.17); C241(1.21)  LDD0743  [12]
 LDCM0428  CL39 HCT 116 C145(0.96); C223(1.27); C238(1.22); C241(0.82)  LDD0745  [12]
 LDCM0429  CL4 HCT 116 C145(0.90); C207(0.80); C223(0.98); C238(1.18)  LDD0746  [12]
 LDCM0430  CL40 HCT 116 C145(0.92); C223(1.13); C238(1.11); C241(0.85)  LDD0747  [12]
 LDCM0431  CL41 HCT 116 C145(0.93); C223(1.15); C238(1.08); C241(1.18)  LDD0748  [12]
 LDCM0432  CL42 HCT 116 C145(0.92); C223(1.54); C238(2.68); C241(0.89)  LDD0749  [12]
 LDCM0433  CL43 HCT 116 C145(1.00); C223(1.38); C238(1.75); C241(0.92)  LDD0750  [12]
 LDCM0434  CL44 HCT 116 C145(0.91); C223(1.28); C238(0.93); C241(0.89)  LDD0751  [12]
 LDCM0435  CL45 HCT 116 C145(0.97); C223(1.33); C238(1.30); C241(0.80)  LDD0752  [12]
 LDCM0436  CL46 HCT 116 C145(1.10); C207(1.43); C223(0.85); C238(0.74)  LDD0753  [12]
 LDCM0437  CL47 HCT 116 C145(1.23); C207(1.80); C223(1.05); C238(1.05)  LDD0754  [12]
 LDCM0438  CL48 HCT 116 C145(1.42); C207(1.26); C223(0.80); C238(0.96)  LDD0755  [12]
 LDCM0439  CL49 HCT 116 C145(1.26); C207(1.10); C223(0.93); C238(1.00)  LDD0756  [12]
 LDCM0440  CL5 HCT 116 C145(1.16); C207(1.04); C223(1.06); C238(0.97)  LDD0757  [12]
 LDCM0441  CL50 HCT 116 C145(1.29); C207(1.08); C223(0.77); C238(0.82)  LDD0758  [12]
 LDCM0442  CL51 HCT 116 C145(1.30); C207(1.20); C223(0.98); C238(0.79)  LDD0759  [12]
 LDCM0443  CL52 HCT 116 C145(1.26); C207(1.38); C223(0.90); C238(0.81)  LDD0760  [12]
 LDCM0444  CL53 HCT 116 C145(1.02); C207(1.29); C223(0.78); C238(1.13)  LDD0761  [12]
 LDCM0445  CL54 HCT 116 C145(1.19); C207(1.11); C223(0.81); C238(0.83)  LDD0762  [12]
 LDCM0446  CL55 HCT 116 C145(1.12); C207(1.33); C223(0.88); C238(0.86)  LDD0763  [12]
 LDCM0447  CL56 HCT 116 C145(1.09); C207(1.06); C223(1.02); C238(0.97)  LDD0764  [12]
 LDCM0448  CL57 HCT 116 C145(1.09); C207(1.00); C223(1.00); C238(0.87)  LDD0765  [12]
 LDCM0449  CL58 HCT 116 C145(1.48); C207(1.30); C223(0.97); C238(1.04)  LDD0766  [12]
 LDCM0450  CL59 HCT 116 C145(1.39); C207(1.13); C223(0.96); C238(0.94)  LDD0767  [12]
 LDCM0451  CL6 HCT 116 C145(1.21); C207(0.74); C223(1.02); C238(0.88)  LDD0768  [12]
 LDCM0452  CL60 HCT 116 C145(1.10); C207(1.13); C223(0.98); C238(0.87)  LDD0769  [12]
 LDCM0453  CL61 HCT 116 C145(0.92); C207(0.98); C223(1.00); C238(0.92)  LDD0770  [12]
 LDCM0454  CL62 HCT 116 C145(1.02); C207(0.81); C223(1.00); C238(0.87)  LDD0771  [12]
 LDCM0455  CL63 HCT 116 C145(1.01); C207(0.78); C223(1.00); C238(0.82)  LDD0772  [12]
 LDCM0456  CL64 HCT 116 C145(1.11); C207(0.55); C223(1.09); C238(0.92)  LDD0773  [12]
 LDCM0457  CL65 HCT 116 C145(0.94); C207(0.79); C223(1.05); C238(0.96)  LDD0774  [12]
 LDCM0458  CL66 HCT 116 C145(1.17); C207(0.38); C223(1.30); C238(0.94)  LDD0775  [12]
 LDCM0459  CL67 HCT 116 C145(1.08); C207(0.62); C223(1.18); C238(1.10)  LDD0776  [12]
 LDCM0460  CL68 HCT 116 C145(0.99); C207(0.59); C223(1.04); C238(1.15)  LDD0777  [12]
 LDCM0461  CL69 HCT 116 C145(1.02); C207(0.75); C223(1.08); C238(0.81)  LDD0778  [12]
 LDCM0462  CL7 HCT 116 C145(1.24); C207(0.51); C223(1.11); C238(0.93)  LDD0779  [12]
 LDCM0463  CL70 HCT 116 C145(1.28); C207(0.70); C223(1.17); C238(0.99)  LDD0780  [12]
 LDCM0464  CL71 HCT 116 C145(1.08); C207(0.67); C223(1.18); C238(0.92)  LDD0781  [12]
 LDCM0465  CL72 HCT 116 C145(1.00); C207(0.98); C223(1.02); C238(1.03)  LDD0782  [12]
 LDCM0466  CL73 HCT 116 C145(1.02); C207(0.69); C223(1.06); C238(0.98)  LDD0783  [12]
 LDCM0467  CL74 HCT 116 C145(0.97); C207(0.70); C223(1.13); C238(1.02)  LDD0784  [12]
 LDCM0469  CL76 HCT 116 C145(1.29); C207(0.43); C223(0.96); C238(0.97)  LDD0786  [12]
 LDCM0470  CL77 HCT 116 C145(0.94); C207(0.46); C223(0.84); C238(1.28)  LDD0787  [12]
 LDCM0471  CL78 HCT 116 C145(0.96); C207(0.59); C223(0.87); C238(1.00)  LDD0788  [12]
 LDCM0472  CL79 HCT 116 C145(1.05); C207(0.29); C223(1.04); C238(1.12)  LDD0789  [12]
 LDCM0473  CL8 HCT 116 C145(1.04); C207(0.32); C223(1.30); C238(1.16)  LDD0790  [12]
 LDCM0474  CL80 HCT 116 C145(0.95); C207(0.48); C223(0.98); C238(1.13)  LDD0791  [12]
 LDCM0475  CL81 HCT 116 C145(1.08); C207(0.52); C223(0.99); C238(1.25)  LDD0792  [12]
 LDCM0476  CL82 HCT 116 C145(1.22); C207(0.17); C223(1.09); C238(1.38)  LDD0793  [12]
 LDCM0477  CL83 HCT 116 C145(1.20); C207(0.21); C223(1.08); C238(1.10)  LDD0794  [12]
 LDCM0478  CL84 HCT 116 C145(0.88); C207(0.12); C223(1.02); C238(1.15)  LDD0795  [12]
 LDCM0479  CL85 HCT 116 C145(0.96); C207(0.45); C223(1.00); C238(0.99)  LDD0796  [12]
 LDCM0480  CL86 HCT 116 C145(1.10); C207(0.86); C223(0.98); C238(1.31)  LDD0797  [12]
 LDCM0481  CL87 HCT 116 C145(1.07); C207(0.49); C223(1.23); C238(1.20)  LDD0798  [12]
 LDCM0482  CL88 HCT 116 C145(1.27); C207(0.25); C223(1.08); C238(1.14)  LDD0799  [12]
 LDCM0483  CL89 HCT 116 C145(1.07); C207(0.13); C223(1.03); C238(1.55)  LDD0800  [12]
 LDCM0484  CL9 HCT 116 C145(0.99); C207(0.66); C223(1.11); C238(1.00)  LDD0801  [12]
 LDCM0485  CL90 HCT 116 C145(0.91); C207(0.33); C223(0.88); C238(0.99)  LDD0802  [12]
 LDCM0486  CL91 HCT 116 C145(0.99); C207(0.77); C223(1.28); C238(1.20)  LDD0803  [12]
 LDCM0487  CL92 HCT 116 C145(0.98); C207(0.97); C223(1.11); C238(1.08)  LDD0804  [12]
 LDCM0488  CL93 HCT 116 C145(0.77); C207(0.83); C223(1.16); C238(0.78)  LDD0805  [12]
 LDCM0489  CL94 HCT 116 C145(0.73); C207(0.53); C223(1.35); C238(0.99)  LDD0806  [12]
 LDCM0490  CL95 HCT 116 C145(0.79); C207(0.59); C223(1.21); C238(1.05)  LDD0807  [12]
 LDCM0491  CL96 HCT 116 C145(0.87); C207(0.71); C223(1.30); C238(0.97)  LDD0808  [12]
 LDCM0492  CL97 HCT 116 C145(0.91); C207(0.68); C223(1.50); C238(1.08)  LDD0809  [12]
 LDCM0493  CL98 HCT 116 C145(0.93); C207(0.72); C223(1.53); C238(1.01)  LDD0810  [12]
 LDCM0494  CL99 HCT 116 C145(0.95); C207(0.76); C223(1.43); C238(1.11)  LDD0811  [12]
 LDCM0152  DR NCI-H1299 2.20  LDD0397  [31]
 LDCM0495  E2913 HEK-293T C238(0.77); C241(0.98); C223(1.00); C145(0.96)  LDD1698  [37]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C207(1.03); C223(0.98); C238(0.93)  LDD1702  [9]
 LDCM0175  Ethacrynic acid HeLa C119(0.66); C223(0.69)  LDD2210  [11]
 LDCM0625  F8 Ramos C207(0.97); C223(1.35); C145(0.67); C83(1.72)  LDD2187  [38]
 LDCM0572  Fragment10 Ramos C207(0.90); C223(1.75); C145(0.61); C83(1.25)  LDD2189  [38]
 LDCM0573  Fragment11 Ramos C207(0.33); C223(0.06); 0.33; C119(0.53)  LDD2190  [38]
 LDCM0574  Fragment12 Ramos C207(1.36); C223(1.77); C145(1.04); C83(5.52)  LDD2191  [38]
 LDCM0575  Fragment13 Ramos C207(0.98); C223(1.01); C145(0.74)  LDD2192  [38]
 LDCM0576  Fragment14 Ramos C207(1.86); C223(1.54); C145(1.52); 1.00  LDD2193  [38]
 LDCM0579  Fragment20 Ramos C207(2.16); C223(3.44); C145(1.27); C83(4.63)  LDD2194  [38]
 LDCM0580  Fragment21 Ramos C207(0.93); C223(1.29); C145(0.79); C83(0.41)  LDD2195  [38]
 LDCM0582  Fragment23 Ramos C207(0.96); C223(1.52); C145(1.11); C83(1.08)  LDD2196  [38]
 LDCM0578  Fragment27 Ramos C207(0.96); C223(0.92); C145(0.78)  LDD2197  [38]
 LDCM0586  Fragment28 Ramos C207(0.53); C223(1.03); C145(1.35); 2.20  LDD2198  [38]
 LDCM0588  Fragment30 Ramos C207(0.80); C223(1.20); C145(0.51); C83(6.14)  LDD2199  [38]
 LDCM0589  Fragment31 Ramos C207(1.05); C223(2.49); C145(0.87); C83(2.65)  LDD2200  [38]
 LDCM0590  Fragment32 Ramos C207(0.93); C223(2.39); C145(0.69); C83(7.85)  LDD2201  [38]
 LDCM0468  Fragment33 HCT 116 C145(1.04); C207(0.74); C223(1.10); C238(1.03)  LDD0785  [12]
 LDCM0596  Fragment38 Ramos C207(0.78); C223(0.98); C145(1.01); C83(3.16)  LDD2203  [38]
 LDCM0566  Fragment4 Ramos C207(1.14); C223(1.70); C145(0.95); C83(0.66)  LDD2184  [38]
 LDCM0427  Fragment51 HCT 116 C145(0.90); C223(1.46); C238(1.29); C241(0.80)  LDD0744  [12]
 LDCM0610  Fragment52 Ramos C207(0.82); C223(2.03); C145(0.90); C83(0.57)  LDD2204  [38]
 LDCM0614  Fragment56 Ramos C207(0.97); C223(1.49); C145(0.67); C83(1.64)  LDD2205  [38]
 LDCM0569  Fragment7 Ramos C207(1.01); C223(1.37); C145(0.57); 1.03  LDD2186  [38]
 LDCM0571  Fragment9 Ramos C207(2.81); C223(3.00); C145(1.69); C83(6.92)  LDD2188  [38]
 LDCM0015  HNE MDA-MB-231 C223(0.94); C207(1.00); C145(1.04); C119(0.87)  LDD0346  [38]
 LDCM0107  IAA HeLa H232(0.00); H66(0.00); C241(0.00)  LDD0221  [25]
 LDCM0022  KB02 HCT 116 C238(1.71); C223(1.32); C119(1.34)  LDD0080  [12]
 LDCM0023  KB03 HCT 116 C238(2.46); C223(1.53); C119(0.63)  LDD0081  [12]
 LDCM0024  KB05 HCT 116 C238(1.57); C223(1.47); C119(0.80)  LDD0082  [12]
 LDCM0109  NEM HeLa N.A.  LDD0223  [25]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C145(0.51)  LDD2104  [9]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C145(0.63)  LDD2106  [9]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C145(0.67)  LDD2108  [9]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C145(1.56)  LDD2136  [9]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C145(1.49)  LDD2150  [9]
 LDCM0627  NUDT7-COV-1 HEK-293T C223(2.08); C238(1.13); C119(0.98); C145(0.69)  LDD2206  [39]
 LDCM0628  OTUB2-COV-1 HEK-293T C223(1.31); C223(1.18); C119(0.79); C145(0.32)  LDD2207  [39]
 LDCM0131  RA190 MM1.R 2.38  LDD0300  [10]
 LDCM0090  Rapamycin JHH-7 4.39  LDD0213  [33]
 LDCM0084  Ro 48-8071 A-549 2.23  LDD0145  [32]
 LDCM0021  THZ1 HeLa S3 C145(1.11)  LDD0460  [8]
 LDCM0113  W17 Hep-G2 C223(2.41)  LDD0240  [26]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 14 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
3 beta-hydroxysteroid dehydrogenase type 7 (HSD3B7) 3-beta-HSD family Q9H2F3
Pachytene checkpoint protein 2 homolog (TRIP13) AAA ATPase family Q15645
Cell division cycle protein 27 homolog (CDC27) APC3/CDC27 family P30260
Protein arginine N-methyltransferase 5 (PRMT5) Protein arginine N-methyltransferase family O14744
Probable arginine--tRNA ligase, mitochondrial (RARS2) Class-I aminoacyl-tRNA synthetase family Q5T160
5' exonuclease Apollo (DCLRE1B) DNA repair metallo-beta-lactamase (DRMBL) family Q9H816
3-hydroxyisobutyrate dehydrogenase, mitochondrial (HIBADH) HIBADH-related family P31937
Polyisoprenoid diphosphate/phosphate phosphohydrolase PLPP6 (PLPP6) PA-phosphatase related phosphoesterase family Q8IY26
Rhomboid-related protein 1 (RHBDL1) Peptidase S54 family O75783
Fibroblast growth factor receptor 3 (FGFR3) Tyr protein kinase family P22607
Protein SCO1 homolog, mitochondrial (SCO1) SCO1/2 family O75880
TLC domain-containing protein 4 (TLCD4) TLCD4 family Q96MV1
Septin-6 (SEPTIN6) Septin GTPase family Q14141
E3 ubiquitin-protein ligase CHIP (STUB1) . Q9UNE7
Transporter and channel
Click To Hide/Show 29 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
High affinity cationic amino acid transporter 1 (SLC7A1) Cationic amino acid transporter (CAT) (TC 2.A.3.3) family P30825
Large neutral amino acids transporter small subunit 2 (SLC7A8) L-type amino acid transporter (LAT) (TC 2.A.3.8) family Q9UHI5
Bestrophin-2 (BEST2) Anion channel-forming bestrophin family Q8NFU1
Sodium-dependent organic anion transporter (SLC10A6) Bile acid:sodium symporter (BASS) family Q3KNW5
Gap junction beta-1 protein (GJB1) Connexin family P08034
Gap junction beta-3 protein (GJB3) Connexin family O75712
Gap junction beta-4 protein (GJB4) Connexin family Q9NTQ9
Heme transporter HRG1 (SLC48A1) HRG family Q6P1K1
Hippocampus abundant transcript-like protein 1 (MFSD14B) Major facilitator superfamily Q5SR56
Monocarboxylate transporter 2 (SLC16A7) Monocarboxylate porter (TC 2.A.1.13) family O60669
Solute carrier family 2, facilitated glucose transporter member 5 (SLC2A5) Sugar transporter (TC 2.A.1.1) family P22732
Magnesium transporter NIPA4 (NIPAL4) NIPA family Q0D2K0
Probable UDP-sugar transporter protein SLC35A4 (SLC35A4) Nucleotide-sugar transporter family Q96G79
Proton channel OTOP3 (OTOP3) Otopetrin family Q7RTS5
Solute carrier family 35 member F1 (SLC35F1) SLC35F solute transporter family Q5T1Q4
Small integral membrane protein 1 (SMIM1) SMIM1 family B2RUZ4
Vesicle-associated membrane protein 3 (VAMP3) Synaptobrevin family Q15836
Transmembrane protein 14B (TMEM14B) TMEM14 family Q9NUH8
Transmembrane protein 14C (TMEM14C) TMEM14 family Q9P0S9
Transmembrane protein 205 (TMEM205) TMEM205 family Q6UW68
Potassium channel subfamily K member 5 (KCNK5) Two pore domain potassium channel (TC 1.A.1.8) family O95279
Transmembrane protein 50A (TMEM50A) UPF0220 family O95807
Guided entry of tail-anchored proteins factor 1 (GET1) WRB/GET1 family O00258
Zinc transporter ZIP1 (SLC39A1) ZIP transporter (TC 2.A.5) family Q9NY26
Zinc transporter ZIP2 (SLC39A2) ZIP transporter (TC 2.A.5) family Q9NP94
Cation-dependent mannose-6-phosphate receptor (M6PR) . P20645
Transmembrane protein 100 (TMEM100) . Q9NV29
Transmembrane protein 187 (TMEM187) . Q14656
Wolframin (WFS1) . O76024
Transcription factor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Cyclic AMP-responsive element-binding protein 3-like protein 1 (CREB3L1) BZIP family Q96BA8
GPCR
Click To Hide/Show 8 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Cannabinoid receptor 2 (CNR2) G-protein coupled receptor 1 family P34972
Free fatty acid receptor 3 (FFAR3) G-protein coupled receptor 1 family O14843
G-protein coupled receptor 161 (GPR161) G-protein coupled receptor 1 family Q8N6U8
G-protein coupled receptor 42 (GPR42) G-protein coupled receptor 1 family O15529
Probable G-protein coupled receptor 152 (GPR152) G-protein coupled receptor 1 family Q8TDT2
Sphingosine 1-phosphate receptor 3 (S1PR3) G-protein coupled receptor 1 family Q99500
Thyrotropin-releasing hormone receptor (TRHR) G-protein coupled receptor 1 family P34981
Vasopressin V2 receptor (AVPR2) G-protein coupled receptor 1 family P30518
Cytokine and receptor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
C-C motif chemokine 4-like (CCL4L1; CCL4L2) Intercrine beta (chemokine CC) family Q8NHW4
Other
Click To Hide/Show 20 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Gap junction beta-5 protein (GJB5) Connexin family O95377
Receptor expression-enhancing protein 4 (REEP4) DP1 family Q9H6H4
Segment polarity protein dishevelled homolog DVL-3 (DVL3) DSH family Q92997
Protein FAM209A (FAM209A) FAM209 family Q5JX71
Keratin, type I cuticular Ha1 (KRT31) Intermediate filament family Q15323
Keratin, type I cytoskeletal 40 (KRT40) Intermediate filament family Q6A162
Keratin-associated protein 5-9 (KRTAP5-9) KRTAP type 5 family P26371
Myeloid-associated differentiation marker-like protein 2 (MYADML2) MAL family A6NDP7
R-spondin-1 (RSPO1) R-spondin family Q2MKA7
Selenoprotein K (SELENOK) Selenoprotein K family Q9Y6D0
U6 snRNA-associated Sm-like protein LSm1 (LSM1) SnRNP Sm proteins family O15116
Vesicle-associated membrane protein 5 (VAMP5) Synaptobrevin family O95183
Transmembrane protein 120B (TMEM120B) TMEM120 family A0PK00
U3 small nucleolar RNA-associated protein 6 homolog (UTP6) UTP6 family Q9NYH9
Gelsolin (GSN) Villin/gelsolin family P06396
Emerin (EMD) . P50402
Regulating synaptic membrane exocytosis protein 3 (RIMS3) . Q9UJD0
RING1 and YY1-binding protein (RYBP) . Q8N488
Thrombospondin type-1 domain-containing protein 7A (THSD7A) . Q9UPZ6
Transmembrane protein 222 (TMEM222) . Q9H0R3

The Drug(s) Related To This Target

Approved
Click To Hide/Show 19 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Ademetionine Small molecular drug DB00118
Apomorphine Small molecular drug DB00714
Conjugated Estrogens Small molecular drug DB00286
Diethylstilbestrol Small molecular drug DB00255
Dobutamine Small molecular drug DB00841
Dopamine Small molecular drug DB00988
Entacapone Small molecular drug D0J1VY
Epinephrine Small molecular drug DB00668
Estradiol Small molecular drug DB00783
Ethinylestradiol Small molecular drug DB00977
Isoprenaline Small molecular drug DB01064
Methyldopa Small molecular drug DB00968
Micafungin Small molecular drug DB01141
Phenytoin Small molecular drug DB00252
Testosterone Propionate Small molecular drug DB01420
Tolcapone Small molecular drug D0Y7PG
Nialamide . DB04820
Nylidrin . DB06152
Opicapone . D01SGK
Phase 3
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Entacapone+levodopa+carbidopa . D0R2NE
Phase 2
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Bia 3-202 Small molecular drug D0G4DE
Cgp-28014 Small molecular drug D0P5TR
Preclinical
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Pgx-200097 . D0U1CL
Investigative
Click To Hide/Show 14 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(3,4-dihydroxy-2-nitrophenyl)(Phenyl)Methanone Small molecular drug D0OE1R
(34-dihydroxy-2-nitrophenyl)(Phenyl)Methanone Small molecular drug DB07462
1-(3,4-dihydroxy-2-nitrophenyl)-2-phenylethanone Small molecular drug D0C0OT
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenoxyethanone Small molecular drug D01AFH
2-methoxyestradiol Small molecular drug DB02342
3,5-dinitrocatechol Small molecular drug D09AYR
35-dinitrocatechol Small molecular drug DB02105
5,6-dihydroxy-7-nitro-2,3-dihydroinden-1-one Small molecular drug D0HW3Y
6,7-dihydroxy-8-nitro-1-tetralone Small molecular drug D0M3PG
7,8-dihydroxy-4-phenyl-2h-chromen-2-one Small molecular drug D06LED
78-dihydroxy-4-phenyl-2h-chromen-2-one Small molecular drug DB08049
Bia Small molecular drug D0XT0I
Echinacoside . DB15488
N-[(E)-3-[(2r3s4r5r)-5-(6-aminopurin-9-yl)-34-dihydroxyoxolan-2-yl]Prop-2-enyl]-23-dihydroxy-5-nitrobenzamide . DB03907
Discontinued
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Nitecapone Small molecular drug D08LVF

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 Fatty Acyl Sulfonyl Fluoride as an Activity-Based Probe for Profiling Fatty Acid-Associated Proteins in Living Cells. Chembiochem. 2022 Feb 16;23(4):e202100628. doi: 10.1002/cbic.202100628. Epub 2021 Dec 30.
3 Design and synthesis of tailored human caseinolytic protease P inhibitors. Chem Commun (Camb). 2018 Aug 28;54(70):9833-9836. doi: 10.1039/c8cc05265d.
Mass spectrometry data entry: PXD010277
4 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
5 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
6 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
7 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.
8 A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
9 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
10 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.
11 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.
12 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.
13 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
14 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.
15 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
16 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
17 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
18 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
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 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
25 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.
26 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.
27 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.
28 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
29 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.
30 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.
31 Quantitative Proteomics Reveals Cellular Off-Targets of a DDR1 Inhibitor. ACS Med Chem Lett. 2020 Feb 5;11(4):535-540. doi: 10.1021/acsmedchemlett.9b00658. eCollection 2020 Apr 9.
32 A Global Map of Lipid-Binding Proteins and Their Ligandability in Cells. Cell. 2015 Jun 18;161(7):1668-80. doi: 10.1016/j.cell.2015.05.045.
33 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.
34 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.
35 Mapping Protein Targets of Bioactive Small Molecules Using Lipid-Based Chemical Proteomics. ACS Chem Biol. 2017 Oct 20;12(10):2671-2681. doi: 10.1021/acschembio.7b00581. Epub 2017 Sep 20.
Mass spectrometry data entry: PXD007570
36 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.
37 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
38 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
39 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.