General Information of Target

Target ID LDTP03132
Target Name Voltage-dependent anion-selective channel protein 1 (VDAC1)
Gene Name VDAC1
Gene ID 7416
Synonyms
VDAC; Voltage-dependent anion-selective channel protein 1; VDAC-1; hVDAC1; Outer mitochondrial membrane protein porin 1; Plasmalemmal porin; Porin 31HL; Porin 31HM
3D Structure
Download
2D Sequence (FASTA)
Download
3D Structure (PDB)
Download
Sequence
MAVPPTYADLGKSARDVFTKGYGFGLIKLDLKTKSENGLEFTSSGSANTETTKVTGSLET
KYRWTEYGLTFTEKWNTDNTLGTEITVEDQLARGLKLTFDSSFSPNTGKKNAKIKTGYKR
EHINLGCDMDFDIAGPSIRGALVLGYEGWLAGYQMNFETAKSRVTQSNFAVGYKTDEFQL
HTNVNDGTEFGGSIYQKVNKKLETAVNLAWTAGNSNTRFGIAAKYQIDPDACFSAKVNNS
SLIGLGYTQTLKPGIKLTLSALLDGKNVNAGGHKLGLGLEFQA
Target Type
Clinical trial
Target Bioclass
Transporter and channel
Family
Eukaryotic mitochondrial porin family
Subcellular location
Mitochondrion outer membrane
Function
Forms a channel through the mitochondrial outer membrane and also the plasma membrane. The channel at the outer mitochondrial membrane allows diffusion of small hydrophilic molecules; in the plasma membrane it is involved in cell volume regulation and apoptosis. It adopts an open conformation at low or zero membrane potential and a closed conformation at potentials above 30-40 mV. The open state has a weak anion selectivity whereas the closed state is cation-selective. Binds various signaling molecules, including the sphingolipid ceramide, the phospholipid phosphatidylcholine, and the sterols cholesterol and oxysterol. In depolarized mitochondria, acts downstream of PRKN and PINK1 to promote mitophagy or prevent apoptosis; polyubiquitination by PRKN promotes mitophagy, while monoubiquitination by PRKN decreases mitochondrial calcium influx which ultimately inhibits apoptosis. May participate in the formation of the permeability transition pore complex (PTPC) responsible for the release of mitochondrial products that triggers apoptosis. May mediate ATP export from cells.
TTD ID
T99397
Uniprot ID
P21796
DrugMap ID
TTAMKGB
Ensemble ID
ENST00000265333.8
HGNC ID
HGNC:12669
ChEMBL ID
CHEMBL4295729

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 57 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info 
9.38  LDD0402  [2]
HDSF-alk
 Probe Info 
1.78  LDD0197  [3]
P1
 Probe Info 
1.96  LDD0452  [4]
P2
 Probe Info 
2.24  LDD0453  [4]
P3
 Probe Info 
2.62  LDD0454  [4]
FBPP2
 Probe Info 
13.33  LDD0318  [5]
CHEMBL5175495
 Probe Info 
10.35  LDD0196  [6]
CY4
 Probe Info 
7.02  LDD0244  [7]
N1
 Probe Info 
4.16  LDD0242  [7]
TH211
 Probe Info 
Y225(5.59)  LDD0257  [8]
TH214
 Probe Info 
Y225(20.00)  LDD0258  [8]
TH216
 Probe Info 
Y225(20.00); Y67(15.45); Y173(7.38)  LDD0259  [8]
YN-1
 Probe Info 
5.80  LDD0444  [9]
YN-4
 Probe Info 
100.00  LDD0445  [9]
ONAyne
 Probe Info 
K274(3.89); K61(2.51)  LDD0274  [10]
AZ-9
 Probe Info 
E66(0.99); D230(1.08)  LDD2208  [11]
OPA-S-S-alkyne
 Probe Info 
K274(0.92); K61(1.88); K201(3.77)  LDD3494  [12]
Probe 1
 Probe Info 
Y173(75.71)  LDD3495  [13]
BTD
 Probe Info 
C232(1.91)  LDD1700  [14]
Jackson_14
 Probe Info 
3.57  LDD0123  [15]
AHL-Pu-1
 Probe Info 
C127(2.72)  LDD0169  [16]
HPAP
 Probe Info 
6.13  LDD0062  [17]
DBIA
 Probe Info 
C232(1.41)  LDD0078  [18]
4-Iodoacetamidophenylacetylene
 Probe Info 
C127(0.00); C232(0.00)  LDD0038  [19]
IA-alkyne
 Probe Info 
N.A.  LDD0032  [20]
IPIAA_H
 Probe Info 
N.A.  LDD0030  [21]
IPIAA_L
 Probe Info 
N.A.  LDD0031  [21]
Lodoacetamide azide
 Probe Info 
C127(0.00); C232(0.00)  LDD0037  [19]
ATP probe
 Probe Info 
K20(0.00); K61(0.00)  LDD0035  [22]
JW-RF-010
 Probe Info 
N.A.  LDD0026  [23]
NAIA_4
 Probe Info 
C127(0.00); C232(0.00)  LDD2226  [24]
TFBX
 Probe Info 
C127(0.00); C232(0.00)  LDD0027  [23]
WYneN
 Probe Info 
C127(0.00); C232(0.00)  LDD0021  [25]
WYneO
 Probe Info 
N.A.  LDD0022  [25]
Compound 10
 Probe Info 
N.A.  LDD2216  [26]
Compound 11
 Probe Info 
N.A.  LDD2213  [26]
ENE
 Probe Info 
N.A.  LDD0006  [25]
IPM
 Probe Info 
N.A.  LDD0005  [25]
NHS
 Probe Info 
K20(0.00); K266(0.00); K197(0.00); K109(0.00)  LDD0010  [25]
PF-06672131
 Probe Info 
N.A.  LDD0017  [27]
PPMS
 Probe Info 
N.A.  LDD0008  [25]
SF
 Probe Info 
N.A.  LDD0028  [28]
STPyne
 Probe Info 
K266(0.00); K201(0.00); K252(0.00); K61(0.00)  LDD0009  [25]
VSF
 Probe Info 
N.A.  LDD0007  [25]
Phosphinate-6
 Probe Info 
N.A.  LDD0018  [29]
Ox-W18
 Probe Info 
W149(0.00); W210(0.00)  LDD2175  [30]
1c-yne
 Probe Info 
K34(0.00); K53(0.00); K201(0.00); K197(0.00)  LDD0228  [31]
1d-yne
 Probe Info 
N.A.  LDD0357  [31]
Acrolein
 Probe Info 
H122(0.00); C232(0.00); C127(0.00); H181(0.00)  LDD0217  [32]
Cinnamaldehyde
 Probe Info 
N.A.  LDD0220  [32]
Crotonaldehyde
 Probe Info 
C232(0.00); H181(0.00); H122(0.00)  LDD0219  [32]
Methacrolein
 Probe Info 
N.A.  LDD0218  [32]
W1
 Probe Info 
N.A.  LDD0236  [33]
AOyne
 Probe Info 
5.70  LDD0443  [34]
MPP-AC
 Probe Info 
N.A.  LDD0428  [35]
NAIA_5
 Probe Info 
C127(0.00); C232(0.00)  LDD2223  [24]
TER-AC
 Probe Info 
N.A.  LDD0426  [35]
PAL-AfBPP Probe
Click To Hide/Show 232 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
DR-1
 Probe Info 
7.13  LDD0398  [36]
PARPYnD
 Probe Info 
2.11  LDD0374  [37]
IMP2070
 Probe Info 
2.93  LDD0367  [38]
C001
 Probe Info 
16.22  LDD1711  [39]
C004
 Probe Info 
21.71  LDD1714  [39]
C007
 Probe Info 
11.08  LDD1716  [39]
C008
 Probe Info 
8.00  LDD1717  [39]
C010
 Probe Info 
8.00  LDD1719  [39]
C011
 Probe Info 
14.72  LDD1720  [39]
C022
 Probe Info 
23.75  LDD1728  [39]
C026
 Probe Info 
25.99  LDD1732  [39]
C027
 Probe Info 
6.02  LDD1733  [39]
C039
 Probe Info 
7.94  LDD1739  [39]
C040
 Probe Info 
38.32  LDD1740  [39]
C041
 Probe Info 
25.99  LDD1741  [39]
C044
 Probe Info 
13.27  LDD1743  [39]
C049
 Probe Info 
11.39  LDD1747  [39]
C051
 Probe Info 
5.24  LDD1749  [39]
C053
 Probe Info 
5.35  LDD1751  [39]
C055
 Probe Info 
83.29  LDD1752  [39]
C056
 Probe Info 
63.56  LDD1753  [39]
C059
 Probe Info 
5.66  LDD1756  [39]
C060
 Probe Info 
10.85  LDD1757  [39]
C063
 Probe Info 
46.85  LDD1760  [39]
C064
 Probe Info 
12.64  LDD1761  [39]
C067
 Probe Info 
9.92  LDD1763  [39]
C070
 Probe Info 
44.32  LDD1766  [39]
C071
 Probe Info 
11.16  LDD1767  [39]
C072
 Probe Info 
25.99  LDD1768  [39]
C075
 Probe Info 
4.99  LDD1770  [39]
C082
 Probe Info 
29.24  LDD1774  [39]
C085
 Probe Info 
7.94  LDD1777  [39]
C087
 Probe Info 
15.03  LDD1779  [39]
C089
 Probe Info 
7.41  LDD1781  [39]
C091
 Probe Info 
56.89  LDD1782  [39]
C092
 Probe Info 
54.57  LDD1783  [39]
C094
 Probe Info 
64.00  LDD1785  [39]
C095
 Probe Info 
7.36  LDD1786  [39]
C099
 Probe Info 
6.02  LDD1788  [39]
C100
 Probe Info 
9.32  LDD1789  [39]
C106
 Probe Info 
38.59  LDD1793  [39]
C107
 Probe Info 
22.01  LDD1794  [39]
C108
 Probe Info 
29.24  LDD1795  [39]
C112
 Probe Info 
68.12  LDD1799  [39]
C117
 Probe Info 
8.75  LDD1804  [39]
C129
 Probe Info 
16.22  LDD1811  [39]
C130
 Probe Info 
39.40  LDD1812  [39]
C134
 Probe Info 
70.03  LDD1816  [39]
C135
 Probe Info 
41.36  LDD1817  [39]
C139
 Probe Info 
45.89  LDD1821  [39]
C140
 Probe Info 
24.93  LDD1822  [39]
C141
 Probe Info 
39.40  LDD1823  [39]
C143
 Probe Info 
54.95  LDD1825  [39]
C145
 Probe Info 
19.29  LDD1827  [39]
C147
 Probe Info 
16.00  LDD1829  [39]
C153
 Probe Info 
62.25  LDD1834  [39]
C156
 Probe Info 
6.11  LDD1836  [39]
C159
 Probe Info 
40.79  LDD1839  [39]
C160
 Probe Info 
49.18  LDD1840  [39]
C161
 Probe Info 
42.52  LDD1841  [39]
C163
 Probe Info 
25.81  LDD1843  [39]
C165
 Probe Info 
32.67  LDD1845  [39]
C166
 Probe Info 
22.01  LDD1846  [39]
C169
 Probe Info 
99.73  LDD1849  [39]
C170
 Probe Info 
18.51  LDD1850  [39]
C173
 Probe Info 
5.50  LDD1853  [39]
C174
 Probe Info 
15.67  LDD1854  [39]
C177
 Probe Info 
24.08  LDD1856  [39]
C178
 Probe Info 
68.12  LDD1857  [39]
C183
 Probe Info 
10.85  LDD1861  [39]
C186
 Probe Info 
22.47  LDD1864  [39]
C187
 Probe Info 
58.89  LDD1865  [39]
C191
 Probe Info 
11.16  LDD1868  [39]
C193
 Probe Info 
9.65  LDD1869  [39]
C194
 Probe Info 
21.71  LDD1870  [39]
C195
 Probe Info 
9.06  LDD1871  [39]
C196
 Probe Info 
11.55  LDD1872  [39]
C197
 Probe Info 
15.56  LDD1873  [39]
C198
 Probe Info 
54.19  LDD1874  [39]
C201
 Probe Info 
94.35  LDD1877  [39]
C205
 Probe Info 
9.25  LDD1880  [39]
C206
 Probe Info 
96.34  LDD1881  [39]
C207
 Probe Info 
38.59  LDD1882  [39]
C210
 Probe Info 
95.67  LDD1884  [39]
C211
 Probe Info 
54.95  LDD1885  [39]
C212
 Probe Info 
9.25  LDD1886  [39]
C213
 Probe Info 
46.53  LDD1887  [39]
C215
 Probe Info 
9.06  LDD1889  [39]
C216
 Probe Info 
5.46  LDD1890  [39]
C217
 Probe Info 
6.82  LDD1891  [39]
C218
 Probe Info 
54.19  LDD1892  [39]
C219
 Probe Info 
22.78  LDD1893  [39]
C220
 Probe Info 
53.45  LDD1894  [39]
C222
 Probe Info 
5.46  LDD1896  [39]
C225
 Probe Info 
25.81  LDD1898  [39]
C226
 Probe Info 
17.39  LDD1899  [39]
C228
 Probe Info 
55.33  LDD1901  [39]
C229
 Probe Info 
22.63  LDD1902  [39]
C231
 Probe Info 
51.27  LDD1904  [39]
C232
 Probe Info 
58.08  LDD1905  [39]
C233
 Probe Info 
63.56  LDD1906  [39]
C234
 Probe Info 
17.15  LDD1907  [39]
C235
 Probe Info 
64.89  LDD1908  [39]
C238
 Probe Info 
49.52  LDD1911  [39]
C239
 Probe Info 
9.06  LDD1912  [39]
C240
 Probe Info 
36.00  LDD1913  [39]
C242
 Probe Info 
6.63  LDD1915  [39]
C243
 Probe Info 
50.91  LDD1916  [39]
C244
 Probe Info 
36.25  LDD1917  [39]
C245
 Probe Info 
17.51  LDD1918  [39]
C246
 Probe Info 
38.59  LDD1919  [39]
C249
 Probe Info 
24.76  LDD1922  [39]
C252
 Probe Info 
23.75  LDD1925  [39]
C255
 Probe Info 
23.26  LDD1928  [39]
C258
 Probe Info 
8.28  LDD1931  [39]
C260
 Probe Info 
5.98  LDD1932  [39]
C264
 Probe Info 
50.21  LDD1935  [39]
C265
 Probe Info 
43.11  LDD1936  [39]
C266
 Probe Info 
12.64  LDD1937  [39]
C269
 Probe Info 
11.00  LDD1939  [39]
C270
 Probe Info 
20.39  LDD1940  [39]
C272
 Probe Info 
7.11  LDD1942  [39]
C273
 Probe Info 
14.03  LDD1943  [39]
C277
 Probe Info 
38.32  LDD1947  [39]
C278
 Probe Info 
76.64  LDD1948  [39]
C280
 Probe Info 
28.44  LDD1950  [39]
C282
 Probe Info 
45.57  LDD1952  [39]
C284
 Probe Info 
39.12  LDD1954  [39]
C285
 Probe Info 
38.05  LDD1955  [39]
C286
 Probe Info 
19.03  LDD1956  [39]
C287
 Probe Info 
45.57  LDD1957  [39]
C288
 Probe Info 
20.11  LDD1958  [39]
C289
 Probe Info 
69.07  LDD1959  [39]
C290
 Probe Info 
16.34  LDD1960  [39]
C293
 Probe Info 
36.50  LDD1963  [39]
C296
 Probe Info 
23.75  LDD1966  [39]
C297
 Probe Info 
11.88  LDD1967  [39]
C299
 Probe Info 
31.78  LDD1968  [39]
C301
 Probe Info 
6.59  LDD1970  [39]
C303
 Probe Info 
7.36  LDD1972  [39]
C304
 Probe Info 
10.56  LDD1973  [39]
C305
 Probe Info 
29.86  LDD1974  [39]
C307
 Probe Info 
24.42  LDD1975  [39]
C310
 Probe Info 
15.78  LDD1977  [39]
C311
 Probe Info 
5.78  LDD1978  [39]
C313
 Probe Info 
12.73  LDD1980  [39]
C314
 Probe Info 
56.49  LDD1981  [39]
C320
 Probe Info 
7.26  LDD1986  [39]
C322
 Probe Info 
6.23  LDD1988  [39]
C326
 Probe Info 
15.03  LDD1990  [39]
C327
 Probe Info 
6.06  LDD1991  [39]
C333
 Probe Info 
5.86  LDD1996  [39]
C337
 Probe Info 
11.79  LDD2000  [39]
C338
 Probe Info 
34.06  LDD2001  [39]
C339
 Probe Info 
25.63  LDD2002  [39]
C340
 Probe Info 
5.13  LDD2003  [39]
C342
 Probe Info 
5.62  LDD2004  [39]
C343
 Probe Info 
33.59  LDD2005  [39]
C344
 Probe Info 
8.34  LDD2006  [39]
C346
 Probe Info 
26.17  LDD2007  [39]
C348
 Probe Info 
57.28  LDD2009  [39]
C349
 Probe Info 
70.52  LDD2010  [39]
C350
 Probe Info 
99.73  LDD2011  [39]
C353
 Probe Info 
8.34  LDD2014  [39]
C354
 Probe Info 
52.71  LDD2015  [39]
C355
 Probe Info 
77.17  LDD2016  [39]
C356
 Probe Info 
31.12  LDD2017  [39]
C357
 Probe Info 
16.80  LDD2018  [39]
C360
 Probe Info 
6.63  LDD2021  [39]
C361
 Probe Info 
19.16  LDD2022  [39]
C362
 Probe Info 
77.17  LDD2023  [39]
C363
 Probe Info 
38.59  LDD2024  [39]
C364
 Probe Info 
33.82  LDD2025  [39]
C366
 Probe Info 
9.32  LDD2027  [39]
C373
 Probe Info 
33.13  LDD2033  [39]
C376
 Probe Info 
30.06  LDD2036  [39]
C378
 Probe Info 
26.54  LDD2037  [39]
C380
 Probe Info 
22.32  LDD2039  [39]
C382
 Probe Info 
50.91  LDD2041  [39]
C383
 Probe Info 
49.87  LDD2042  [39]
C385
 Probe Info 
16.00  LDD2044  [39]
C386
 Probe Info 
37.01  LDD2045  [39]
C387
 Probe Info 
14.22  LDD2046  [39]
C388
 Probe Info 
99.73  LDD2047  [39]
C390
 Probe Info 
99.73  LDD2049  [39]
C391
 Probe Info 
53.08  LDD2050  [39]
C392
 Probe Info 
6.54  LDD2051  [39]
C396
 Probe Info 
8.94  LDD2055  [39]
C397
 Probe Info 
13.45  LDD2056  [39]
C399
 Probe Info 
28.64  LDD2058  [39]
C403
 Probe Info 
41.64  LDD2061  [39]
C405
 Probe Info 
10.06  LDD2063  [39]
C407
 Probe Info 
28.25  LDD2064  [39]
C409
 Probe Info 
9.85  LDD2066  [39]
C413
 Probe Info 
44.94  LDD2069  [39]
C414
 Probe Info 
14.93  LDD2070  [39]
C416
 Probe Info 
12.30  LDD2071  [39]
C419
 Probe Info 
42.52  LDD2074  [39]
C420
 Probe Info 
44.32  LDD2075  [39]
C422
 Probe Info 
13.93  LDD2077  [39]
C424
 Probe Info 
27.28  LDD2079  [39]
C426
 Probe Info 
49.87  LDD2081  [39]
C428
 Probe Info 
11.00  LDD2083  [39]
C429
 Probe Info 
56.49  LDD2084  [39]
C430
 Probe Info 
9.19  LDD2085  [39]
C431
 Probe Info 
56.10  LDD2086  [39]
C433
 Probe Info 
14.52  LDD2088  [39]
FFF probe11
 Probe Info 
20.00  LDD0471  [40]
FFF probe12
 Probe Info 
19.59  LDD0487  [40]
FFF probe13
 Probe Info 
20.00  LDD0475  [40]
FFF probe14
 Probe Info 
20.00  LDD0477  [40]
FFF probe15
 Probe Info 
20.00  LDD0478  [40]
FFF probe2
 Probe Info 
20.00  LDD0463  [40]
FFF probe3
 Probe Info 
20.00  LDD0464  [40]
FFF probe4
 Probe Info 
20.00  LDD0466  [40]
FFF probe6
 Probe Info 
20.00  LDD0467  [40]
FFF probe7
 Probe Info 
20.00  LDD0483  [40]
FFF probe9
 Probe Info 
20.00  LDD0470  [40]
JN0003
 Probe Info 
20.00  LDD0469  [40]
VE-P
 Probe Info 
N.A.  LDD0396  [41]
AX-1
 Probe Info 
4.56  LDD0441  [42]
A-DA
 Probe Info 
3.34  LDD0145  [43]
Kambe_3
 Probe Info 
3.56  LDD0130  [44]
Diazir
 Probe Info 
N.A.  LDD0011  [25]
BD-F
 Probe Info 
G38(0.00); I227(0.00); G152(0.00); D228(0.00)  LDD0024  [45]
LD-F
 Probe Info 
H181(0.00); N183(0.00); I123(0.00); L125(0.00)  LDD0015  [45]
TM-F
 Probe Info 
E36(0.00); V184(0.00); E40(0.00); L39(0.00)  LDD0020  [45]
Photocelecoxib
 Probe Info 
N.A.  LDD0019  [46]
DA-2
 Probe Info 
N.A.  LDD0073  [47]
KIRA6 AfBP
 Probe Info 
N.A.  LDD0378  [48]
OEA-DA
 Probe Info 
20.00  LDD0046  [49]
STS-1
 Probe Info 
N.A.  LDD0069  [50]

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 C232(0.34); C127(0.36)  LDD2142  [14]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C232(0.52); C127(0.72)  LDD2112  [14]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C232(0.72)  LDD2095  [14]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C232(0.94)  LDD2130  [14]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C127(0.93)  LDD2117  [14]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C232(1.08)  LDD2152  [14]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C232(0.48)  LDD2132  [14]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C232(0.70)  LDD2131  [14]
 LDCM0026  4SU-RNA+native RNA HEK-293T C127(2.72)  LDD0169  [16]
 LDCM0176  9im MDA-MB-231 4.56  LDD0441  [42]
 LDCM0214  AC1 HCT 116 C127(1.02); C232(1.11)  LDD0531  [18]
 LDCM0215  AC10 HCT 116 C127(0.77); C232(1.22)  LDD0532  [18]
 LDCM0216  AC100 HCT 116 C127(0.79); C232(0.89)  LDD0533  [18]
 LDCM0217  AC101 HCT 116 C127(0.66); C232(0.89)  LDD0534  [18]
 LDCM0218  AC102 HCT 116 C127(0.69); C232(0.96)  LDD0535  [18]
 LDCM0219  AC103 HCT 116 C127(0.63); C232(1.11)  LDD0536  [18]
 LDCM0220  AC104 HCT 116 C127(0.66); C232(0.95)  LDD0537  [18]
 LDCM0221  AC105 HCT 116 C127(0.66); C232(1.01)  LDD0538  [18]
 LDCM0222  AC106 HCT 116 C127(0.65); C232(0.98)  LDD0539  [18]
 LDCM0223  AC107 HCT 116 C127(0.63); C232(0.98)  LDD0540  [18]
 LDCM0224  AC108 HCT 116 C127(0.77); C232(0.92)  LDD0541  [18]
 LDCM0225  AC109 HCT 116 C127(0.89); C232(0.87)  LDD0542  [18]
 LDCM0226  AC11 HCT 116 C127(0.66); C232(1.20)  LDD0543  [18]
 LDCM0227  AC110 HCT 116 C127(0.73); C232(0.93)  LDD0544  [18]
 LDCM0228  AC111 HCT 116 C127(0.69); C232(0.95)  LDD0545  [18]
 LDCM0229  AC112 HCT 116 C127(0.55); C232(1.03)  LDD0546  [18]
 LDCM0230  AC113 HCT 116 C127(1.01); C232(1.01)  LDD0547  [18]
 LDCM0231  AC114 HCT 116 C127(0.82); C232(1.09)  LDD0548  [18]
 LDCM0232  AC115 HCT 116 C127(0.79); C232(1.22)  LDD0549  [18]
 LDCM0233  AC116 HCT 116 C127(0.76); C232(1.04)  LDD0550  [18]
 LDCM0234  AC117 HCT 116 C127(0.84); C232(1.05)  LDD0551  [18]
 LDCM0235  AC118 HCT 116 C127(0.96); C232(1.03)  LDD0552  [18]
 LDCM0236  AC119 HCT 116 C127(0.81); C232(1.13)  LDD0553  [18]
 LDCM0237  AC12 HCT 116 C127(0.98); C232(1.24)  LDD0554  [18]
 LDCM0238  AC120 HCT 116 C127(0.83); C232(0.97)  LDD0555  [18]
 LDCM0239  AC121 HCT 116 C127(1.06); C232(1.15)  LDD0556  [18]
 LDCM0240  AC122 HCT 116 C127(0.84); C232(1.22)  LDD0557  [18]
 LDCM0241  AC123 HCT 116 C127(0.92); C232(1.10)  LDD0558  [18]
 LDCM0242  AC124 HCT 116 C127(0.96); C232(1.15)  LDD0559  [18]
 LDCM0243  AC125 HCT 116 C127(0.90); C232(1.14)  LDD0560  [18]
 LDCM0244  AC126 HCT 116 C127(0.82); C232(1.16)  LDD0561  [18]
 LDCM0245  AC127 HCT 116 C127(0.83); C232(1.18)  LDD0562  [18]
 LDCM0246  AC128 HCT 116 C127(0.89); C232(1.23)  LDD0563  [18]
 LDCM0247  AC129 HCT 116 C127(1.13); C232(0.91)  LDD0564  [18]
 LDCM0249  AC130 HCT 116 C127(0.88); C232(1.12)  LDD0566  [18]
 LDCM0250  AC131 HCT 116 C127(1.07); C232(0.89)  LDD0567  [18]
 LDCM0251  AC132 HCT 116 C127(1.25); C232(1.03)  LDD0568  [18]
 LDCM0252  AC133 HCT 116 C127(0.90); C232(1.06)  LDD0569  [18]
 LDCM0253  AC134 HCT 116 C127(0.88); C232(1.10)  LDD0570  [18]
 LDCM0254  AC135 HCT 116 C127(0.86); C232(1.09)  LDD0571  [18]
 LDCM0255  AC136 HCT 116 C127(1.02); C232(1.15)  LDD0572  [18]
 LDCM0256  AC137 HCT 116 C127(1.09); C232(1.12)  LDD0573  [18]
 LDCM0257  AC138 HCT 116 C127(0.83); C232(1.31)  LDD0574  [18]
 LDCM0258  AC139 HCT 116 C127(0.84); C232(1.08)  LDD0575  [18]
 LDCM0259  AC14 HCT 116 C127(0.70); C232(1.23)  LDD0576  [18]
 LDCM0260  AC140 HCT 116 C127(0.88); C232(1.19)  LDD0577  [18]
 LDCM0261  AC141 HCT 116 C127(0.87); C232(1.10)  LDD0578  [18]
 LDCM0262  AC142 HCT 116 C127(1.04); C232(1.00)  LDD0579  [18]
 LDCM0263  AC143 HCT 116 C127(0.70); C232(1.10)  LDD0580  [18]
 LDCM0264  AC144 HCT 116 C127(0.47); C232(1.13)  LDD0581  [18]
 LDCM0265  AC145 HCT 116 C127(0.60); C232(1.13)  LDD0582  [18]
 LDCM0266  AC146 HCT 116 C127(0.46); C232(1.06)  LDD0583  [18]
 LDCM0267  AC147 HCT 116 C127(0.51); C232(1.18)  LDD0584  [18]
 LDCM0268  AC148 HCT 116 C127(0.41); C232(1.25)  LDD0585  [18]
 LDCM0269  AC149 HCT 116 C127(0.44); C232(1.17)  LDD0586  [18]
 LDCM0270  AC15 HCT 116 C127(0.72); C232(1.30)  LDD0587  [18]
 LDCM0271  AC150 HCT 116 C127(0.64); C232(1.06)  LDD0588  [18]
 LDCM0272  AC151 HCT 116 C127(0.60); C232(1.17)  LDD0589  [18]
 LDCM0273  AC152 HCT 116 C127(0.44); C232(1.16)  LDD0590  [18]
 LDCM0274  AC153 HCT 116 C127(0.34); C232(1.26)  LDD0591  [18]
 LDCM0621  AC154 HCT 116 C127(0.47); C232(1.12)  LDD2158  [18]
 LDCM0622  AC155 HCT 116 C127(0.47); C232(1.09)  LDD2159  [18]
 LDCM0623  AC156 HCT 116 C127(0.68); C232(1.03)  LDD2160  [18]
 LDCM0624  AC157 HCT 116 C127(0.67); C232(0.89)  LDD2161  [18]
 LDCM0276  AC17 HCT 116 C127(0.86); C232(1.06)  LDD0593  [18]
 LDCM0277  AC18 HCT 116 C127(0.66); C232(1.18)  LDD0594  [18]
 LDCM0278  AC19 HCT 116 C127(0.73); C232(1.09)  LDD0595  [18]
 LDCM0279  AC2 HCT 116 C127(0.97); C232(1.06)  LDD0596  [18]
 LDCM0280  AC20 HCT 116 C127(0.81); C232(1.10)  LDD0597  [18]
 LDCM0281  AC21 HCT 116 C127(0.73); C232(1.07)  LDD0598  [18]
 LDCM0282  AC22 HCT 116 C127(0.95); C232(1.12)  LDD0599  [18]
 LDCM0283  AC23 HCT 116 C127(0.92); C232(1.17)  LDD0600  [18]
 LDCM0284  AC24 HCT 116 C127(0.99); C232(1.05)  LDD0601  [18]
 LDCM0285  AC25 HCT 116 C127(0.82); C232(1.05)  LDD0602  [18]
 LDCM0286  AC26 HCT 116 C127(0.67); C232(1.06)  LDD0603  [18]
 LDCM0287  AC27 HCT 116 C127(0.63); C232(1.18)  LDD0604  [18]
 LDCM0288  AC28 HCT 116 C127(0.66); C232(0.95)  LDD0605  [18]
 LDCM0289  AC29 HCT 116 C127(0.63); C232(1.08)  LDD0606  [18]
 LDCM0290  AC3 HCT 116 C127(1.06); C232(1.09)  LDD0607  [18]
 LDCM0291  AC30 HCT 116 C127(0.58); C232(1.15)  LDD0608  [18]
 LDCM0292  AC31 HCT 116 C127(0.65); C232(1.08)  LDD0609  [18]
 LDCM0293  AC32 HCT 116 C127(0.50); C232(1.17)  LDD0610  [18]
 LDCM0294  AC33 HCT 116 C127(0.56); C232(1.18)  LDD0611  [18]
 LDCM0295  AC34 HCT 116 C127(0.50); C232(1.30)  LDD0612  [18]
 LDCM0296  AC35 HCT 116 C232(1.03); C127(1.14)  LDD0613  [18]
 LDCM0297  AC36 HCT 116 C232(1.01); C127(1.17)  LDD0614  [18]
 LDCM0298  AC37 HCT 116 C127(0.99); C232(1.05)  LDD0615  [18]
 LDCM0299  AC38 HCT 116 C232(0.91); C127(0.99)  LDD0616  [18]
 LDCM0300  AC39 HCT 116 C127(1.03); C232(1.05)  LDD0617  [18]
 LDCM0301  AC4 HCT 116 C127(1.04); C232(1.16)  LDD0618  [18]
 LDCM0302  AC40 HCT 116 C127(0.90); C232(1.06)  LDD0619  [18]
 LDCM0303  AC41 HCT 116 C127(0.94); C232(1.18)  LDD0620  [18]
 LDCM0304  AC42 HCT 116 C127(1.03); C232(1.07)  LDD0621  [18]
 LDCM0305  AC43 HCT 116 C127(0.82); C232(1.11)  LDD0622  [18]
 LDCM0306  AC44 HCT 116 C127(0.94); C232(1.02)  LDD0623  [18]
 LDCM0307  AC45 HCT 116 C127(0.90); C232(1.22)  LDD0624  [18]
 LDCM0308  AC46 HCT 116 C127(0.94); C232(1.11)  LDD0625  [18]
 LDCM0309  AC47 HCT 116 C127(1.00); C232(1.07)  LDD0626  [18]
 LDCM0310  AC48 HCT 116 C127(0.79); C232(1.13)  LDD0627  [18]
 LDCM0311  AC49 HCT 116 C127(0.82); C232(1.25)  LDD0628  [18]
 LDCM0312  AC5 HCT 116 C127(1.00); C232(1.19)  LDD0629  [18]
 LDCM0313  AC50 HCT 116 C127(0.68); C232(1.15)  LDD0630  [18]
 LDCM0314  AC51 HCT 116 C127(1.02); C232(1.02)  LDD0631  [18]
 LDCM0315  AC52 HCT 116 C127(1.00); C232(1.08)  LDD0632  [18]
 LDCM0316  AC53 HCT 116 C127(0.92); C232(1.05)  LDD0633  [18]
 LDCM0317  AC54 HCT 116 C127(0.79); C232(1.10)  LDD0634  [18]
 LDCM0318  AC55 HCT 116 C127(0.93); C232(1.16)  LDD0635  [18]
 LDCM0319  AC56 HCT 116 C127(0.65); C232(1.28)  LDD0636  [18]
 LDCM0320  AC57 HCT 116 C127(0.67); C232(1.17)  LDD0637  [18]
 LDCM0321  AC58 HCT 116 C127(0.61); C232(1.29)  LDD0638  [18]
 LDCM0322  AC59 HCT 116 C127(0.60); C232(1.31)  LDD0639  [18]
 LDCM0323  AC6 HCT 116 C127(0.74); C232(1.19)  LDD0640  [18]
 LDCM0324  AC60 HCT 116 C127(0.55); C232(1.27)  LDD0641  [18]
 LDCM0325  AC61 HCT 116 C127(0.58); C232(1.18)  LDD0642  [18]
 LDCM0326  AC62 HCT 116 C127(0.55); C232(1.25)  LDD0643  [18]
 LDCM0327  AC63 HCT 116 C127(0.60); C232(1.19)  LDD0644  [18]
 LDCM0328  AC64 HCT 116 C127(0.60); C232(1.33)  LDD0645  [18]
 LDCM0329  AC65 HCT 116 C127(0.61); C232(1.45)  LDD0646  [18]
 LDCM0330  AC66 HCT 116 C127(0.65); C232(1.40)  LDD0647  [18]
 LDCM0331  AC67 HCT 116 C127(0.48); C232(1.39)  LDD0648  [18]
 LDCM0332  AC68 HCT 116 C127(0.79); C232(1.02)  LDD0649  [18]
 LDCM0333  AC69 HCT 116 C127(0.71); C232(1.00)  LDD0650  [18]
 LDCM0334  AC7 HCT 116 C127(0.82); C232(1.10)  LDD0651  [18]
 LDCM0335  AC70 HCT 116 C127(0.68); C232(1.25)  LDD0652  [18]
 LDCM0336  AC71 HCT 116 C127(0.87); C232(0.93)  LDD0653  [18]
 LDCM0337  AC72 HCT 116 C127(0.80); C232(1.04)  LDD0654  [18]
 LDCM0338  AC73 HCT 116 C127(0.65); C232(1.13)  LDD0655  [18]
 LDCM0339  AC74 HCT 116 C127(0.66); C232(1.12)  LDD0656  [18]
 LDCM0340  AC75 HCT 116 C127(0.63); C232(1.21)  LDD0657  [18]
 LDCM0341  AC76 HCT 116 C127(0.81); C232(1.15)  LDD0658  [18]
 LDCM0342  AC77 HCT 116 C127(0.72); C232(1.38)  LDD0659  [18]
 LDCM0343  AC78 HCT 116 C127(0.79); C232(1.07)  LDD0660  [18]
 LDCM0344  AC79 HCT 116 C127(0.89); C232(1.03)  LDD0661  [18]
 LDCM0345  AC8 HCT 116 C127(0.70); C232(1.46)  LDD0662  [18]
 LDCM0346  AC80 HCT 116 C127(0.95); C232(1.05)  LDD0663  [18]
 LDCM0347  AC81 HCT 116 C127(0.93); C232(1.00)  LDD0664  [18]
 LDCM0348  AC82 HCT 116 C127(0.63); C232(1.24)  LDD0665  [18]
 LDCM0349  AC83 HCT 116 C127(0.59); C232(1.20)  LDD0666  [18]
 LDCM0350  AC84 HCT 116 C127(0.55); C232(1.17)  LDD0667  [18]
 LDCM0351  AC85 HCT 116 C127(0.66); C232(1.08)  LDD0668  [18]
 LDCM0352  AC86 HCT 116 C127(0.75); C232(0.98)  LDD0669  [18]
 LDCM0353  AC87 HCT 116 C127(0.80); C232(0.88)  LDD0670  [18]
 LDCM0354  AC88 HCT 116 C127(0.80); C232(1.01)  LDD0671  [18]
 LDCM0355  AC89 HCT 116 C127(0.60); C232(1.01)  LDD0672  [18]
 LDCM0357  AC90 HCT 116 C232(0.95); C127(1.33)  LDD0674  [18]
 LDCM0358  AC91 HCT 116 C127(0.61); C232(1.18)  LDD0675  [18]
 LDCM0359  AC92 HCT 116 C127(0.64); C232(1.22)  LDD0676  [18]
 LDCM0360  AC93 HCT 116 C127(0.76); C232(0.99)  LDD0677  [18]
 LDCM0361  AC94 HCT 116 C127(0.77); C232(0.90)  LDD0678  [18]
 LDCM0362  AC95 HCT 116 C127(0.74); C232(0.89)  LDD0679  [18]
 LDCM0363  AC96 HCT 116 C127(0.66); C232(0.99)  LDD0680  [18]
 LDCM0364  AC97 HCT 116 C127(0.63); C232(1.05)  LDD0681  [18]
 LDCM0365  AC98 HCT 116 C127(0.52); C232(1.04)  LDD0682  [18]
 LDCM0366  AC99 HCT 116 C127(0.85); C232(0.88)  LDD0683  [18]
 LDCM0545  Acetamide MDA-MB-231 C232(0.74)  LDD2138  [14]
 LDCM0520  AKOS000195272 MDA-MB-231 C232(0.68)  LDD2113  [14]
 LDCM0248  AKOS034007472 HCT 116 C127(0.92); C232(1.05)  LDD0565  [18]
 LDCM0356  AKOS034007680 HCT 116 C127(0.77); C232(1.15)  LDD0673  [18]
 LDCM0275  AKOS034007705 HCT 116 C127(0.55); C232(1.37)  LDD0592  [18]
 LDCM0156  Aniline NCI-H1299 13.67  LDD0403  [2]
 LDCM0020  ARS-1620 HCC44 C232(1.41)  LDD0078  [18]
 LDCM0498  BS-3668 MDA-MB-231 C232(1.01)  LDD2091  [14]
 LDCM0630  CCW28-3 231MFP C232(1.14)  LDD2214  [51]
 LDCM0108  Chloroacetamide HeLa C127(0.00); C232(0.00); H122(0.00); H181(0.00)  LDD0222  [32]
 LDCM0367  CL1 HCT 116 C232(1.53); C127(1.74)  LDD0684  [18]
 LDCM0368  CL10 HCT 116 C127(0.79); C232(1.39)  LDD0685  [18]
 LDCM0369  CL100 HCT 116 C127(0.91); C232(1.09)  LDD0686  [18]
 LDCM0370  CL101 HCT 116 C127(0.64); C232(1.19)  LDD0687  [18]
 LDCM0371  CL102 HCT 116 C127(0.88); C232(1.05)  LDD0688  [18]
 LDCM0372  CL103 HCT 116 C127(0.95); C232(1.01)  LDD0689  [18]
 LDCM0373  CL104 HCT 116 C127(0.82); C232(0.98)  LDD0690  [18]
 LDCM0374  CL105 HCT 116 C127(0.79); C232(1.25)  LDD0691  [18]
 LDCM0375  CL106 HCT 116 C127(0.67); C232(1.41)  LDD0692  [18]
 LDCM0376  CL107 HCT 116 C127(0.64); C232(1.43)  LDD0693  [18]
 LDCM0377  CL108 HCT 116 C127(0.67); C232(1.11)  LDD0694  [18]
 LDCM0378  CL109 HCT 116 C127(0.67); C232(1.18)  LDD0695  [18]
 LDCM0379  CL11 HCT 116 C127(0.86); C232(1.50)  LDD0696  [18]
 LDCM0380  CL110 HCT 116 C127(0.79); C232(1.16)  LDD0697  [18]
 LDCM0381  CL111 HCT 116 C127(0.69); C232(1.15)  LDD0698  [18]
 LDCM0382  CL112 HCT 116 C232(0.91); C127(0.93)  LDD0699  [18]
 LDCM0383  CL113 HCT 116 C127(0.56); C232(1.04)  LDD0700  [18]
 LDCM0384  CL114 HCT 116 C127(0.70); C232(0.98)  LDD0701  [18]
 LDCM0385  CL115 HCT 116 C127(0.64); C232(1.07)  LDD0702  [18]
 LDCM0386  CL116 HCT 116 C127(0.62); C232(1.22)  LDD0703  [18]
 LDCM0387  CL117 HCT 116 C127(0.82); C232(1.26)  LDD0704  [18]
 LDCM0388  CL118 HCT 116 C127(0.95); C232(1.04)  LDD0705  [18]
 LDCM0389  CL119 HCT 116 C127(0.94); C232(1.13)  LDD0706  [18]
 LDCM0390  CL12 HCT 116 C127(0.88); C232(1.73)  LDD0707  [18]
 LDCM0391  CL120 HCT 116 C127(1.08); C232(1.10)  LDD0708  [18]
 LDCM0392  CL121 HCT 116 C127(0.80); C232(1.05)  LDD0709  [18]
 LDCM0393  CL122 HCT 116 C127(0.82); C232(1.12)  LDD0710  [18]
 LDCM0394  CL123 HCT 116 C127(0.83); C232(1.03)  LDD0711  [18]
 LDCM0395  CL124 HCT 116 C127(0.81); C232(1.14)  LDD0712  [18]
 LDCM0396  CL125 HCT 116 C127(1.02); C232(1.08)  LDD0713  [18]
 LDCM0397  CL126 HCT 116 C127(0.76); C232(1.05)  LDD0714  [18]
 LDCM0398  CL127 HCT 116 C127(0.72); C232(1.07)  LDD0715  [18]
 LDCM0399  CL128 HCT 116 C127(0.70); C232(1.23)  LDD0716  [18]
 LDCM0400  CL13 HCT 116 C127(0.78); C232(1.72)  LDD0717  [18]
 LDCM0401  CL14 HCT 116 C127(1.07); C232(1.42)  LDD0718  [18]
 LDCM0402  CL15 HCT 116 C127(0.81); C232(1.67)  LDD0719  [18]
 LDCM0403  CL16 HCT 116 C127(0.87); C232(1.09)  LDD0720  [18]
 LDCM0404  CL17 HCT 116 C127(0.73); C232(1.02)  LDD0721  [18]
 LDCM0405  CL18 HCT 116 C127(0.56); C232(1.11)  LDD0722  [18]
 LDCM0406  CL19 HCT 116 C127(0.69); C232(1.02)  LDD0723  [18]
 LDCM0407  CL2 HCT 116 C232(1.25); C127(1.26)  LDD0724  [18]
 LDCM0408  CL20 HCT 116 C127(0.56); C232(1.16)  LDD0725  [18]
 LDCM0409  CL21 HCT 116 C127(0.57); C232(1.36)  LDD0726  [18]
 LDCM0410  CL22 HCT 116 C127(0.57); C232(1.67)  LDD0727  [18]
 LDCM0411  CL23 HCT 116 C127(0.62); C232(1.15)  LDD0728  [18]
 LDCM0412  CL24 HCT 116 C127(0.58); C232(1.28)  LDD0729  [18]
 LDCM0413  CL25 HCT 116 C127(0.62); C232(1.33)  LDD0730  [18]
 LDCM0414  CL26 HCT 116 C127(0.62); C232(1.16)  LDD0731  [18]
 LDCM0415  CL27 HCT 116 C127(0.69); C232(1.13)  LDD0732  [18]
 LDCM0416  CL28 HCT 116 C127(0.54); C232(1.23)  LDD0733  [18]
 LDCM0417  CL29 HCT 116 C127(0.58); C232(1.20)  LDD0734  [18]
 LDCM0418  CL3 HCT 116 C127(1.11); C232(1.26)  LDD0735  [18]
 LDCM0419  CL30 HCT 116 C127(0.79); C232(0.99)  LDD0736  [18]
 LDCM0420  CL31 HCT 116 C127(0.67); C232(0.88)  LDD0737  [18]
 LDCM0421  CL32 HCT 116 C127(0.53); C232(0.91)  LDD0738  [18]
 LDCM0422  CL33 HCT 116 C127(0.48); C232(0.90)  LDD0739  [18]
 LDCM0423  CL34 HCT 116 C127(0.57); C232(0.92)  LDD0740  [18]
 LDCM0424  CL35 HCT 116 C127(0.51); C232(0.98)  LDD0741  [18]
 LDCM0425  CL36 HCT 116 C127(0.54); C232(1.01)  LDD0742  [18]
 LDCM0426  CL37 HCT 116 C127(0.55); C232(1.17)  LDD0743  [18]
 LDCM0428  CL39 HCT 116 C127(0.55); C232(1.08)  LDD0745  [18]
 LDCM0429  CL4 HCT 116 C127(1.10); C232(1.37)  LDD0746  [18]
 LDCM0430  CL40 HCT 116 C127(0.58); C232(0.98)  LDD0747  [18]
 LDCM0431  CL41 HCT 116 C127(0.53); C232(0.89)  LDD0748  [18]
 LDCM0432  CL42 HCT 116 C127(0.54); C232(1.28)  LDD0749  [18]
 LDCM0433  CL43 HCT 116 C127(0.50); C232(0.95)  LDD0750  [18]
 LDCM0434  CL44 HCT 116 C127(0.53); C232(0.97)  LDD0751  [18]
 LDCM0435  CL45 HCT 116 C127(0.48); C232(1.03)  LDD0752  [18]
 LDCM0436  CL46 HCT 116 C127(1.57); C232(1.06)  LDD0753  [18]
 LDCM0437  CL47 HCT 116 C127(1.46); C232(1.01)  LDD0754  [18]
 LDCM0438  CL48 HCT 116 C127(1.84); C232(0.85)  LDD0755  [18]
 LDCM0439  CL49 HCT 116 C127(1.19); C232(1.05)  LDD0756  [18]
 LDCM0440  CL5 HCT 116 C127(1.03); C232(1.50)  LDD0757  [18]
 LDCM0441  CL50 HCT 116 C127(1.25); C232(0.97)  LDD0758  [18]
 LDCM0442  CL51 HCT 116 C127(1.23); C232(1.10)  LDD0759  [18]
 LDCM0443  CL52 HCT 116 C127(1.37); C232(1.09)  LDD0760  [18]
 LDCM0444  CL53 HCT 116 C127(1.35); C232(1.00)  LDD0761  [18]
 LDCM0445  CL54 HCT 116 C127(1.22); C232(1.05)  LDD0762  [18]
 LDCM0446  CL55 HCT 116 C127(1.27); C232(1.06)  LDD0763  [18]
 LDCM0447  CL56 HCT 116 C127(1.17); C232(1.16)  LDD0764  [18]
 LDCM0448  CL57 HCT 116 C127(1.42); C232(1.01)  LDD0765  [18]
 LDCM0449  CL58 HCT 116 C127(1.36); C232(0.97)  LDD0766  [18]
 LDCM0450  CL59 HCT 116 C127(1.35); C232(1.08)  LDD0767  [18]
 LDCM0451  CL6 HCT 116 C127(0.83); C232(1.69)  LDD0768  [18]
 LDCM0452  CL60 HCT 116 C127(1.17); C232(0.97)  LDD0769  [18]
 LDCM0453  CL61 HCT 116 C127(0.84); C232(1.00)  LDD0770  [18]
 LDCM0454  CL62 HCT 116 C127(0.85); C232(1.10)  LDD0771  [18]
 LDCM0455  CL63 HCT 116 C127(0.69); C232(1.16)  LDD0772  [18]
 LDCM0456  CL64 HCT 116 C127(0.72); C232(0.98)  LDD0773  [18]
 LDCM0457  CL65 HCT 116 C127(0.90); C232(0.96)  LDD0774  [18]
 LDCM0458  CL66 HCT 116 C127(0.63); C232(1.22)  LDD0775  [18]
 LDCM0459  CL67 HCT 116 C127(0.68); C232(0.93)  LDD0776  [18]
 LDCM0460  CL68 HCT 116 C127(0.60); C232(0.95)  LDD0777  [18]
 LDCM0461  CL69 HCT 116 C127(0.58); C232(0.93)  LDD0778  [18]
 LDCM0462  CL7 HCT 116 C127(0.89); C232(1.55)  LDD0779  [18]
 LDCM0463  CL70 HCT 116 C127(0.61); C232(0.87)  LDD0780  [18]
 LDCM0464  CL71 HCT 116 C127(0.77); C232(1.00)  LDD0781  [18]
 LDCM0465  CL72 HCT 116 C127(0.78); C232(0.97)  LDD0782  [18]
 LDCM0466  CL73 HCT 116 C127(0.71); C232(1.08)  LDD0783  [18]
 LDCM0467  CL74 HCT 116 C127(0.72); C232(1.10)  LDD0784  [18]
 LDCM0469  CL76 HCT 116 C127(0.74); C232(1.06)  LDD0786  [18]
 LDCM0470  CL77 HCT 116 C127(0.92); C232(1.11)  LDD0787  [18]
 LDCM0471  CL78 HCT 116 C127(0.81); C232(1.15)  LDD0788  [18]
 LDCM0472  CL79 HCT 116 C127(0.71); C232(1.09)  LDD0789  [18]
 LDCM0473  CL8 HCT 116 C127(0.79); C232(1.71)  LDD0790  [18]
 LDCM0474  CL80 HCT 116 C127(0.73); C232(1.02)  LDD0791  [18]
 LDCM0475  CL81 HCT 116 C127(0.87); C232(1.06)  LDD0792  [18]
 LDCM0476  CL82 HCT 116 C127(0.73); C232(1.20)  LDD0793  [18]
 LDCM0477  CL83 HCT 116 C127(0.69); C232(1.26)  LDD0794  [18]
 LDCM0478  CL84 HCT 116 C127(0.65); C232(1.39)  LDD0795  [18]
 LDCM0479  CL85 HCT 116 C127(0.78); C232(1.18)  LDD0796  [18]
 LDCM0480  CL86 HCT 116 C127(0.96); C232(1.08)  LDD0797  [18]
 LDCM0481  CL87 HCT 116 C127(0.86); C232(1.16)  LDD0798  [18]
 LDCM0482  CL88 HCT 116 C127(0.84); C232(1.26)  LDD0799  [18]
 LDCM0483  CL89 HCT 116 C127(0.67); C232(1.46)  LDD0800  [18]
 LDCM0484  CL9 HCT 116 C127(0.90); C232(1.52)  LDD0801  [18]
 LDCM0485  CL90 HCT 116 C127(1.21); C232(0.83)  LDD0802  [18]
 LDCM0486  CL91 HCT 116 C127(1.09); C232(1.03)  LDD0803  [18]
 LDCM0487  CL92 HCT 116 C127(1.12); C232(1.00)  LDD0804  [18]
 LDCM0488  CL93 HCT 116 C127(1.12); C232(0.94)  LDD0805  [18]
 LDCM0489  CL94 HCT 116 C127(0.89); C232(1.00)  LDD0806  [18]
 LDCM0490  CL95 HCT 116 C127(0.99); C232(0.93)  LDD0807  [18]
 LDCM0491  CL96 HCT 116 C127(1.00); C232(1.00)  LDD0808  [18]
 LDCM0492  CL97 HCT 116 C127(0.98); C232(1.12)  LDD0809  [18]
 LDCM0493  CL98 HCT 116 C127(0.89); C232(1.16)  LDD0810  [18]
 LDCM0494  CL99 HCT 116 C127(0.97); C232(1.21)  LDD0811  [18]
 LDCM0189  Compound 16 HEK-293T 20.83  LDD0492  [40]
 LDCM0185  Compound 17 HEK-293T 20.83  LDD0504  [40]
 LDCM0182  Compound 18 HEK-293T 9.76  LDD0501  [40]
 LDCM0184  Compound 20 HEK-293T 16.13  LDD0503  [40]
 LDCM0191  Compound 21 HEK-293T 12.05  LDD0493  [40]
 LDCM0186  Compound 31 HEK-293T 11.76  LDD0506  [40]
 LDCM0187  Compound 32 HEK-293T 19.80  LDD0507  [40]
 LDCM0188  Compound 33 HEK-293T 7.87  LDD0505  [40]
 LDCM0190  Compound 34 HEK-293T 17.70  LDD0497  [40]
 LDCM0192  Compound 35 HEK-293T 16.26  LDD0491  [40]
 LDCM0193  Compound 36 HEK-293T 12.74  LDD0494  [40]
 LDCM0194  Compound 37 HEK-293T 14.60  LDD0498  [40]
 LDCM0195  Compound 38 HEK-293T 21.74  LDD0499  [40]
 LDCM0196  Compound 39 HEK-293T 11.43  LDD0496  [40]
 LDCM0197  Compound 40 HEK-293T 13.61  LDD0495  [40]
 LDCM0181  Compound 41 HEK-293T 8.44  LDD0502  [40]
 LDCM0183  Compound 42 HEK-293T 4.83  LDD0500  [40]
 LDCM0495  E2913 HEK-293T C232(0.93); C127(0.95)  LDD1698  [52]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C232(0.97)  LDD1702  [14]
 LDCM0625  F8 Ramos C232(0.67); C127(0.73)  LDD2187  [53]
 LDCM0572  Fragment10 Ramos C232(0.50); C127(0.29)  LDD2189  [53]
 LDCM0573  Fragment11 Ramos C232(0.20); C127(0.03)  LDD2190  [53]
 LDCM0574  Fragment12 Ramos C232(0.83); C127(0.29)  LDD2191  [53]
 LDCM0575  Fragment13 Ramos C232(1.22); C127(0.30)  LDD2192  [53]
 LDCM0576  Fragment14 Ramos C232(1.00); C127(0.54)  LDD2193  [53]
 LDCM0579  Fragment20 Ramos C232(0.78); C127(0.26)  LDD2194  [53]
 LDCM0580  Fragment21 Ramos C232(1.20); C127(0.54)  LDD2195  [53]
 LDCM0582  Fragment23 Ramos C232(1.29); C127(0.69)  LDD2196  [53]
 LDCM0578  Fragment27 Ramos C232(1.25); C127(0.41)  LDD2197  [53]
 LDCM0586  Fragment28 Ramos C232(0.55); C127(0.84)  LDD2198  [53]
 LDCM0588  Fragment30 Ramos C232(1.62); C127(0.18)  LDD2199  [53]
 LDCM0589  Fragment31 Ramos C232(1.34); C127(0.60)  LDD2200  [53]
 LDCM0590  Fragment32 Ramos C232(0.99); C127(0.17)  LDD2201  [53]
 LDCM0468  Fragment33 HCT 116 C127(0.74); C232(0.77)  LDD0785  [18]
 LDCM0596  Fragment38 Ramos C232(1.50); C127(0.24)  LDD2203  [53]
 LDCM0566  Fragment4 Ramos C232(1.24); C127(0.32)  LDD2184  [53]
 LDCM0427  Fragment51 HCT 116 C127(0.49); C232(1.13)  LDD0744  [18]
 LDCM0610  Fragment52 Ramos C232(1.52); C127(0.23)  LDD2204  [53]
 LDCM0614  Fragment56 Ramos C232(1.58); C127(0.18)  LDD2205  [53]
 LDCM0569  Fragment7 Ramos C232(0.85); C127(0.19)  LDD2186  [53]
 LDCM0571  Fragment9 Ramos C232(0.93); C127(0.11)  LDD2188  [53]
 LDCM0107  IAA HeLa H122(0.00); H181(0.00); C232(0.00); C127(0.00)  LDD0221  [32]
 LDCM0074  Kambe_cp66 PC-3 3.56  LDD0130  [44]
 LDCM0022  KB02 HCT 116 C232(1.09)  LDD0080  [18]
 LDCM0023  KB03 HCT 116 C232(1.28)  LDD0081  [18]
 LDCM0024  KB05 HCT 116 C232(0.88)  LDD0082  [18]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C232(0.66)  LDD2102  [14]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C232(1.02)  LDD2121  [14]
 LDCM0109  NEM HeLa H181(0.00); H122(0.00); C232(0.00)  LDD0223  [32]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C232(1.03)  LDD2089  [14]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C232(1.70)  LDD2090  [14]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C232(0.93)  LDD2093  [14]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C232(0.64)  LDD2097  [14]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C232(0.26)  LDD2098  [14]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C232(1.06)  LDD2099  [14]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C127(0.47)  LDD2100  [14]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C232(1.24)  LDD2101  [14]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C232(0.25); C127(0.35)  LDD2104  [14]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C232(1.35)  LDD2105  [14]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C232(0.26)  LDD2106  [14]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C232(0.90)  LDD2107  [14]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C232(0.45)  LDD2108  [14]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C232(1.00); C127(0.78)  LDD2109  [14]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C232(0.35)  LDD2110  [14]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C232(1.03)  LDD2111  [14]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C232(0.43); C127(0.38)  LDD2114  [14]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C232(0.47); C127(0.64)  LDD2115  [14]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C127(0.59)  LDD2118  [14]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C232(1.54)  LDD2119  [14]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C232(1.02)  LDD2120  [14]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C127(0.19)  LDD2122  [14]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C232(0.90); C127(1.05)  LDD2123  [14]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C127(0.29)  LDD2124  [14]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C232(0.87); C127(1.13)  LDD2125  [14]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C127(0.36)  LDD2126  [14]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C232(1.14)  LDD2129  [14]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C232(0.53); C127(0.50)  LDD2133  [14]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C232(0.52); C127(0.41)  LDD2134  [14]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C232(1.29)  LDD2135  [14]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C127(1.58)  LDD2136  [14]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C232(0.88); C127(1.04)  LDD2137  [14]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C232(1.91)  LDD1700  [14]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C232(0.73); C127(1.24)  LDD2140  [14]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C232(0.64); C127(0.75)  LDD2141  [14]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C232(1.14)  LDD2143  [14]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C232(2.11)  LDD2144  [14]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C232(2.42)  LDD2145  [14]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C232(0.94)  LDD2146  [14]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C232(0.47)  LDD2148  [14]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C232(0.81); C127(1.08)  LDD2150  [14]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C232(0.94)  LDD2153  [14]
 LDCM0014  Panhematin HEK-293T 6.13  LDD0062  [17]
 LDCM0131  RA190 MM1.R C127(1.64); C232(1.41)  LDD0304  [54]
 LDCM0016  Ranjitkar_cp1 MDA-MB-231 3.57  LDD0123  [15]
 LDCM0084  Ro 48-8071 A-549 3.34  LDD0145  [43]
 LDCM0021  THZ1 HCT 116 C232(1.10)  LDD2173  [18]
 LDCM0110  W12 Hep-G2 K61(0.58); C232(1.41)  LDD0237  [33]
 LDCM0111  W14 Hep-G2 K61(0.73)  LDD0238  [33]
 LDCM0113  W17 Hep-G2 C232(1.06)  LDD0240  [33]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 4 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Hexokinase-1 (HK1) Hexokinase family P19367
Peroxiredoxin-6 (PRDX6) Peroxiredoxin family P30041
Cyclin-dependent kinase 1 (CDK1) CMGC Ser/Thr protein kinase family P06493
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) TKL Ser/Thr protein kinase family Q5S007
Transporter and channel
Click To Hide/Show 5 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
14-3-3 protein epsilon (YWHAE) 14-3-3 family P62258
Voltage-dependent anion-selective channel protein 1 (VDAC1) Eukaryotic mitochondrial porin family P21796
Voltage-dependent anion-selective channel protein 2 (VDAC2) Eukaryotic mitochondrial porin family P45880
Voltage-dependent anion-selective channel protein 3 (VDAC3) Eukaryotic mitochondrial porin family Q9Y277
ADP/ATP translocase 3 (SLC25A6) Mitochondrial carrier (TC 2.A.29) family P12236
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Protein Bop (RTL10) . Q7L3V2

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
Cannabidiol Small molecular drug DB09061
Phase 2
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Vda-1102 . D06QBX
Investigative
Click To Hide/Show 3 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Aluminium Monostearate Small molecular drug DB01375
Nabiximols Small molecular drug DB14011
Medical Cannabis . DB14009

References

1 Labeling Preferences of Diazirines with Protein Biomolecules. J Am Chem Soc. 2021 May 5;143(17):6691-6700. doi: 10.1021/jacs.1c02509. Epub 2021 Apr 20.
Mass spectrometry data entry: PXD025140
2 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.
3 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.
4 Comparison of Different Competitive Proteome Profiling Approaches in Target Identification of Covalent Inhibitors. Chembiochem. 2022 Dec 16;23(24):e202200389. doi: 10.1002/cbic.202200389. Epub 2022 Nov 22.
5 Tranylcypromine specificity for monoamine oxidase is limited by promiscuous protein labelling and lysosomal trapping. RSC Chem Biol. 2020 Aug 12;1(4):209-213. doi: 10.1039/d0cb00048e. eCollection 2020 Oct 1.
Mass spectrometry data entry: PXD018580
6 Charting the Chemical Space of Acrylamide-Based Inhibitors of zDHHC20. ACS Med Chem Lett. 2022 Sep 26;13(10):1648-1654. doi: 10.1021/acsmedchemlett.2c00336. eCollection 2022 Oct 13.
7 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.
8 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.
9 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.
10 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
11 2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells. J Am Chem Soc. 2020 Apr 1;142(13):6051-6059. doi: 10.1021/jacs.9b12116. Epub 2020 Mar 23.
12 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
13 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.
14 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
15 Appendage and Scaffold Diverse Fully Functionalized Small-Molecule Probes via a Minimalist Terminal Alkyne-Aliphatic Diazirine Isocyanide. J Org Chem. 2018 Sep 21;83(18):11245-11253. doi: 10.1021/acs.joc.8b01831. Epub 2018 Aug 31.
16 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
17 A Chemical Proteomic Map of Heme-Protein Interactions. J Am Chem Soc. 2022 Aug 24;144(33):15013-15019. doi: 10.1021/jacs.2c06104. Epub 2022 Aug 12.
Mass spectrometry data entry: PXD034651
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