Details of the Target

General Information of Target

Target ID LDTP01333
Target Name Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)
Gene Name IDH1
Gene ID 3417
Synonyms
PICD; Isocitrate dehydrogenase [NADP] cytoplasmic; IDH; IDH1; EC 1.1.1.42; Cytosolic NADP-isocitrate dehydrogenase; IDPc; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
Target Type
Successful
Target Bioclass
Enzyme
Family
Isocitrate and isopropylmalate dehydrogenases family
Subcellular location
Cytoplasm, cytosol
Function
Catalyzes the NADP(+)-dependent oxidative decarboxylation of isocitrate (D-threo-isocitrate) to 2-ketoglutarate (2-oxoglutarate), which is required by other enzymes such as the phytanoyl-CoA dioxygenase. Plays a critical role in the generation of NADPH, an important cofactor in many biosynthesis pathways. May act as a corneal epithelial crystallin and may be involved in maintaining corneal epithelial transparency.
TTD ID
T69563
Uniprot ID
O75874
DrugMap ID
TTV2A1R
Ensemble ID
ENST00000345146.7
HGNC ID
HGNC:5382
ChEMBL ID
CHEMBL2007625

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 36 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
TH216
 Probe Info  		Y135(9.13)  LDD0259  [1]
YN-4
 Probe Info  		100.00  LDD0445  [2]
STPyne
 Probe Info  		K212(10.00); K224(6.25); K270(3.86); K321(5.28)  LDD0277  [3]
BTD
 Probe Info  		C379(2.87)  LDD1699  [4]
Probe 1
 Probe Info  		Y135(27.11); Y139(43.76); Y208(16.18); Y391(20.09)  LDD3495  [5]
EA-probe
 Probe Info  		C269(1.18)  LDD2210  [6]
HHS-482
 Probe Info  		Y135(0.90); Y139(0.96); Y246(1.03)  LDD0285  [7]
HHS-475
 Probe Info  		Y42(0.91); Y135(0.92)  LDD0264  [8]
HHS-465
 Probe Info  		Y135(6.49); Y139(6.54); Y42(1.54)  LDD2237  [9]
DBIA
 Probe Info  		C269(20.00)  LDD0080  [10]
5E-2FA
 Probe Info  		H194(0.00); H309(0.00)  LDD2235  [11]
ATP probe
 Probe Info  		K381(0.00); K126(0.00)  LDD0199  [12]
4-Iodoacetamidophenylacetylene
 Probe Info  		C73(0.00); C269(0.00); C379(0.00)  LDD0038  [13]
IA-alkyne
 Probe Info  		N.A.  LDD0032  [14]
Lodoacetamide azide
 Probe Info  		C73(0.00); C379(0.00); C269(0.00)  LDD0037  [13]
ATP probe
 Probe Info  		K260(0.00); K4(0.00); K212(0.00); K381(0.00)  LDD0035  [15]
NAIA_4
 Probe Info  		C73(0.00); C269(0.00)  LDD2226  [16]
TFBX
 Probe Info  		N.A.  LDD0027  [17]
WYneN
 Probe Info  		C379(0.00); C73(0.00)  LDD0021  [18]
WYneO
 Probe Info  		C379(0.00); C73(0.00); C269(0.00)  LDD0022  [18]
Compound 10
 Probe Info  		N.A.  LDD2216  [19]
IPM
 Probe Info  		C269(0.00); C379(0.00)  LDD0005  [18]
PF-06672131
 Probe Info  		N.A.  LDD0017  [20]
SF
 Probe Info  		N.A.  LDD0028  [21]
VSF
 Probe Info  		C73(0.00); C269(0.00)  LDD0007  [18]
Ox-W18
 Probe Info  		N.A.  LDD2175  [22]
1c-yne
 Probe Info  		K151(0.00); K29(0.00); K270(0.00); K203(0.00)  LDD0228  [23]
Acrolein
 Probe Info  		H309(0.00); H133(0.00); C269(0.00); C73(0.00)  LDD0217  [24]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [24]
Methacrolein
 Probe Info  		C379(0.00); H309(0.00); C269(0.00); H133(0.00)  LDD0218  [24]
W1
 Probe Info  		C269(0.00); C379(0.00); W124(0.00)  LDD0236  [25]
m-APA
 Probe Info  		N.A.  LDD0404  [26]
AOyne
 Probe Info  		7.70  LDD0443  [27]
NAIA_5
 Probe Info  		C73(0.00); C379(0.00); C114(0.00); C269(0.00)  LDD2223  [16]
TER-AC
 Probe Info  		N.A.  LDD0426  [28]
TPP-AC
 Probe Info  		N.A.  LDD0427  [28]
PAL-AfBPP Probe
Click To Hide/Show 44 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C004
 Probe Info  		31.12  LDD1714  [29]
C027
 Probe Info  		5.74  LDD1733  [29]
C062
 Probe Info  		7.52  LDD1759  [29]
C073
 Probe Info  		5.24  LDD1769  [29]
C089
 Probe Info  		5.03  LDD1781  [29]
C116
 Probe Info  		7.84  LDD1803  [29]
C132
 Probe Info  		9.13  LDD1814  [29]
C145
 Probe Info  		10.20  LDD1827  [29]
C146
 Probe Info  		7.36  LDD1828  [29]
C165
 Probe Info  		15.45  LDD1845  [29]
C179
 Probe Info  		5.54  LDD1858  [29]
C186
 Probe Info  		18.13  LDD1864  [29]
C191
 Probe Info  		25.81  LDD1868  [29]
C196
 Probe Info  		10.93  LDD1872  [29]
C197
 Probe Info  		5.46  LDD1873  [29]
C208
 Probe Info  		6.59  LDD1883  [29]
C211
 Probe Info  		14.52  LDD1885  [29]
C237
 Probe Info  		6.82  LDD1910  [29]
C242
 Probe Info  		14.62  LDD1915  [29]
C249
 Probe Info  		11.88  LDD1922  [29]
C258
 Probe Info  		5.66  LDD1931  [29]
C270
 Probe Info  		28.64  LDD1940  [29]
C279
 Probe Info  		14.42  LDD1949  [29]
C280
 Probe Info  		9.78  LDD1950  [29]
C286
 Probe Info  		7.36  LDD1956  [29]
C302
 Probe Info  		11.71  LDD1971  [29]
C303
 Probe Info  		5.94  LDD1972  [29]
C314
 Probe Info  		11.88  LDD1981  [29]
C319
 Probe Info  		4.92  LDD1985  [29]
C331
 Probe Info  		5.54  LDD1994  [29]
C342
 Probe Info  		5.06  LDD2004  [29]
C374
 Probe Info  		5.35  LDD2034  [29]
FFF probe11
 Probe Info  		19.99  LDD0471  [30]
FFF probe13
 Probe Info  		6.91  LDD0475  [30]
FFF probe2
 Probe Info  		7.77  LDD0463  [30]
FFF probe3
 Probe Info  		9.14  LDD0464  [30]
FFF probe6
 Probe Info  		8.13  LDD0468  [30]
FFF probe9
 Probe Info  		5.62  LDD0485  [30]
JN0003
 Probe Info  		10.45  LDD0469  [30]
STS-1
 Probe Info  		N.A.  LDD0136  [31]
STS-2
 Probe Info  		N.A.  LDD0138  [31]
VE-P
 Probe Info  		N.A.  LDD0396  [32]
DA-2
 Probe Info  		N.A.  LDD0070  [33]
KIRA6 AfBP
 Probe Info  		N.A.  LDD0378  [34]

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 C379(0.36)  LDD2142  [4]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C379(0.67)  LDD2112  [4]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C379(1.54)  LDD2117  [4]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C379(1.02)  LDD2103  [4]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C379(1.12)  LDD2132  [4]
 LDCM0562  Abegg_cp(-)-11 HeLa C269(2.13)  LDD0313  [17]
 LDCM0214  AC1 HCT 116 C73(0.95); C269(1.16); C379(1.10)  LDD0531  [10]
 LDCM0215  AC10 HCT 116 C73(1.01); C269(0.98); C379(1.16)  LDD0532  [10]
 LDCM0216  AC100 HCT 116 C73(0.52); C269(1.12); C379(0.98)  LDD0533  [10]
 LDCM0217  AC101 HCT 116 C73(0.72); C269(0.97); C379(0.91)  LDD0534  [10]
 LDCM0218  AC102 HCT 116 C73(0.61); C269(1.05); C379(1.06)  LDD0535  [10]
 LDCM0219  AC103 HCT 116 C73(0.11); C269(1.23); C379(0.85)  LDD0536  [10]
 LDCM0220  AC104 HCT 116 C73(0.17); C269(1.01); C379(0.90)  LDD0537  [10]
 LDCM0221  AC105 HCT 116 C73(0.20); C269(1.12); C379(0.88)  LDD0538  [10]
 LDCM0222  AC106 HCT 116 C73(0.18); C269(1.33); C379(0.89)  LDD0539  [10]
 LDCM0223  AC107 HCT 116 C73(0.26); C269(1.36); C379(0.84)  LDD0540  [10]
 LDCM0224  AC108 HCT 116 C73(0.26); C269(1.03); C379(0.82)  LDD0541  [10]
 LDCM0225  AC109 HCT 116 C73(0.25); C269(0.85); C379(0.79)  LDD0542  [10]
 LDCM0226  AC11 HCT 116 C73(0.83); C269(1.03); C379(1.28)  LDD0543  [10]
 LDCM0227  AC110 HCT 116 C73(0.22); C269(1.15); C379(0.99)  LDD0544  [10]
 LDCM0228  AC111 HCT 116 C73(0.23); C269(1.14); C379(0.83)  LDD0545  [10]
 LDCM0229  AC112 HCT 116 C73(0.23); C269(1.31); C379(0.91)  LDD0546  [10]
 LDCM0230  AC113 HCT 116 C73(0.80); C269(1.13); C379(1.06)  LDD0547  [10]
 LDCM0231  AC114 HCT 116 C73(0.61); C269(1.08); C379(1.03)  LDD0548  [10]
 LDCM0232  AC115 HCT 116 C73(0.23); C269(0.98); C379(1.05)  LDD0549  [10]
 LDCM0233  AC116 HCT 116 C73(0.23); C269(0.91); C379(1.05)  LDD0550  [10]
 LDCM0234  AC117 HCT 116 C73(0.67); C269(1.06); C379(0.99)  LDD0551  [10]
 LDCM0235  AC118 HCT 116 C73(0.80); C269(1.02); C379(1.02)  LDD0552  [10]
 LDCM0236  AC119 HCT 116 C73(0.77); C269(1.10); C379(1.18)  LDD0553  [10]
 LDCM0237  AC12 HCT 116 C73(0.93); C269(1.20); C379(1.23)  LDD0554  [10]
 LDCM0238  AC120 HCT 116 C73(0.39); C269(1.16); C379(1.04)  LDD0555  [10]
 LDCM0239  AC121 HCT 116 C73(1.54); C269(1.04); C379(0.95)  LDD0556  [10]
 LDCM0240  AC122 HCT 116 C73(1.00); C269(1.17); C379(1.07)  LDD0557  [10]
 LDCM0241  AC123 HCT 116 C73(0.82); C269(1.23); C379(0.98)  LDD0558  [10]
 LDCM0242  AC124 HCT 116 C73(1.18); C269(1.01); C379(0.91)  LDD0559  [10]
 LDCM0243  AC125 HCT 116 C73(0.48); C269(1.04); C379(1.08)  LDD0560  [10]
 LDCM0244  AC126 HCT 116 C73(0.37); C269(1.05); C379(1.03)  LDD0561  [10]
 LDCM0245  AC127 HCT 116 C73(0.41); C269(1.08); C379(0.99)  LDD0562  [10]
 LDCM0246  AC128 HCT 116 C73(0.40); C269(1.50); C379(0.82)  LDD0563  [10]
 LDCM0247  AC129 HCT 116 C73(2.31); C269(1.08); C379(0.82)  LDD0564  [10]
 LDCM0249  AC130 HCT 116 C73(0.85); C269(1.36); C379(0.89)  LDD0566  [10]
 LDCM0250  AC131 HCT 116 C73(1.62); C269(1.17); C379(0.75)  LDD0567  [10]
 LDCM0251  AC132 HCT 116 C73(2.35); C269(1.14); C379(0.90)  LDD0568  [10]
 LDCM0252  AC133 HCT 116 C73(1.05); C269(1.15); C379(0.94)  LDD0569  [10]
 LDCM0253  AC134 HCT 116 C73(0.65); C269(1.33); C379(0.75)  LDD0570  [10]
 LDCM0254  AC135 HCT 116 C73(0.83); C269(1.21); C379(0.85)  LDD0571  [10]
 LDCM0255  AC136 HCT 116 C73(0.91); C269(1.19); C379(1.09)  LDD0572  [10]
 LDCM0256  AC137 HCT 116 C73(1.50); C269(1.18); C379(1.04)  LDD0573  [10]
 LDCM0257  AC138 HCT 116 C73(1.04); C269(1.35); C379(0.99)  LDD0574  [10]
 LDCM0258  AC139 HCT 116 C73(1.17); C269(1.24); C379(0.97)  LDD0575  [10]
 LDCM0259  AC14 HCT 116 C73(0.98); C269(0.92); C379(1.29)  LDD0576  [10]
 LDCM0260  AC140 HCT 116 C73(0.82); C269(1.30); C379(0.94)  LDD0577  [10]
 LDCM0261  AC141 HCT 116 C73(1.22); C269(1.18); C379(0.82)  LDD0578  [10]
 LDCM0262  AC142 HCT 116 C73(3.84); C269(0.99); C379(0.94)  LDD0579  [10]
 LDCM0263  AC143 HCT 116 C73(1.19); C269(1.18); C379(1.00)  LDD0580  [10]
 LDCM0264  AC144 HCT 116 C73(0.52); C379(1.09); C269(1.37)  LDD0581  [10]
 LDCM0265  AC145 HCT 116 C269(1.01); C73(1.10); C379(1.17)  LDD0582  [10]
 LDCM0266  AC146 HCT 116 C73(0.97); C379(1.14); C269(1.34)  LDD0583  [10]
 LDCM0267  AC147 HCT 116 C73(0.37); C379(1.08); C269(1.28)  LDD0584  [10]
 LDCM0268  AC148 HCT 116 C73(0.20); C379(0.87); C269(2.03)  LDD0585  [10]
 LDCM0269  AC149 HCT 116 C73(0.40); C379(1.14); C269(1.56)  LDD0586  [10]
 LDCM0270  AC15 HCT 116 C73(0.78); C269(0.97); C379(1.11)  LDD0587  [10]
 LDCM0271  AC150 HCT 116 C269(1.06); C379(1.09); C73(2.00)  LDD0588  [10]
 LDCM0272  AC151 HCT 116 C269(1.01); C379(1.23); C73(1.37)  LDD0589  [10]
 LDCM0273  AC152 HCT 116 C73(0.27); C379(0.81); C269(1.35)  LDD0590  [10]
 LDCM0274  AC153 HCT 116 C73(0.23); C379(0.97); C269(2.36)  LDD0591  [10]
 LDCM0621  AC154 HCT 116 C73(0.59); C269(1.17); C379(1.10)  LDD2158  [10]
 LDCM0622  AC155 HCT 116 C73(0.52); C269(1.28); C379(1.12)  LDD2159  [10]
 LDCM0623  AC156 HCT 116 C73(1.04); C269(1.08); C379(1.03)  LDD2160  [10]
 LDCM0624  AC157 HCT 116 C73(1.52); C269(1.13); C379(0.85)  LDD2161  [10]
 LDCM0276  AC17 HCT 116 C379(1.13); C269(1.15); C73(1.43)  LDD0593  [10]
 LDCM0277  AC18 HCT 116 C73(0.32); C379(1.34); C269(1.34)  LDD0594  [10]
 LDCM0278  AC19 HCT 116 C73(0.76); C379(1.16); C269(1.30)  LDD0595  [10]
 LDCM0279  AC2 HCT 116 C269(1.02); C379(1.03); C73(1.35)  LDD0596  [10]
 LDCM0280  AC20 HCT 116 C73(0.96); C379(1.12); C269(1.15)  LDD0597  [10]
 LDCM0281  AC21 HCT 116 C73(0.93); C269(1.17); C379(1.28)  LDD0598  [10]
 LDCM0282  AC22 HCT 116 C269(1.14); C379(1.20); C73(1.31)  LDD0599  [10]
 LDCM0283  AC23 HCT 116 C73(0.95); C269(1.19); C379(1.22)  LDD0600  [10]
 LDCM0284  AC24 HCT 116 C73(0.87); C379(1.00); C269(1.09)  LDD0601  [10]
 LDCM0285  AC25 HCT 116 C379(1.09); C269(1.15); C73(1.25)  LDD0602  [10]
 LDCM0286  AC26 HCT 116 C73(1.03); C379(1.06); C269(1.39)  LDD0603  [10]
 LDCM0287  AC27 HCT 116 C73(0.84); C379(1.11); C269(1.25)  LDD0604  [10]
 LDCM0288  AC28 HCT 116 C73(0.81); C379(1.10); C269(1.20)  LDD0605  [10]
 LDCM0289  AC29 HCT 116 C73(0.96); C379(0.98); C269(1.31)  LDD0606  [10]
 LDCM0290  AC3 HCT 116 C269(0.95); C379(1.02); C73(1.06)  LDD0607  [10]
 LDCM0291  AC30 HCT 116 C73(0.71); C379(1.15); C269(1.27)  LDD0608  [10]
 LDCM0292  AC31 HCT 116 C269(1.07); C73(1.10); C379(1.23)  LDD0609  [10]
 LDCM0293  AC32 HCT 116 C73(0.30); C269(1.26); C379(1.32)  LDD0610  [10]
 LDCM0294  AC33 HCT 116 C73(0.37); C269(1.00); C379(1.06)  LDD0611  [10]
 LDCM0295  AC34 HCT 116 C73(0.21); C379(1.19); C269(1.20)  LDD0612  [10]
 LDCM0296  AC35 HCT 116 C379(0.99); C269(1.06); C73(3.88)  LDD0613  [10]
 LDCM0297  AC36 HCT 116 C379(1.00); C269(1.21); C73(3.38)  LDD0614  [10]
 LDCM0298  AC37 HCT 116 C269(1.14); C379(1.14); C73(2.91)  LDD0615  [10]
 LDCM0299  AC38 HCT 116 C269(0.98); C379(1.06); C73(2.27)  LDD0616  [10]
 LDCM0300  AC39 HCT 116 C269(1.07); C379(1.13); C73(1.45)  LDD0617  [10]
 LDCM0301  AC4 HCT 116 C379(0.94); C73(0.96); C269(1.01)  LDD0618  [10]
 LDCM0302  AC40 HCT 116 C73(0.63); C379(0.96); C269(1.25)  LDD0619  [10]
 LDCM0303  AC41 HCT 116 C379(1.05); C269(1.21); C73(2.06)  LDD0620  [10]
 LDCM0304  AC42 HCT 116 C379(1.01); C269(1.02); C73(1.05)  LDD0621  [10]
 LDCM0305  AC43 HCT 116 C379(1.14); C269(1.14); C73(1.96)  LDD0622  [10]
 LDCM0306  AC44 HCT 116 C73(0.99); C269(1.06); C379(1.11)  LDD0623  [10]
 LDCM0307  AC45 HCT 116 C73(0.63); C379(1.10); C269(1.26)  LDD0624  [10]
 LDCM0308  AC46 HCT 116 C379(1.01); C269(1.12); C73(1.54)  LDD0625  [10]
 LDCM0309  AC47 HCT 116 C73(0.96); C379(1.01); C269(1.17)  LDD0626  [10]
 LDCM0310  AC48 HCT 116 C269(1.19); C379(1.26); C73(8.00)  LDD0627  [10]
 LDCM0311  AC49 HCT 116 C73(0.30); C379(0.91); C269(2.13)  LDD0628  [10]
 LDCM0312  AC5 HCT 116 C379(0.96); C73(1.07); C269(1.10)  LDD0629  [10]
 LDCM0313  AC50 HCT 116 C73(0.33); C379(0.88); C269(1.79)  LDD0630  [10]
 LDCM0314  AC51 HCT 116 C379(0.93); C269(1.00); C73(18.49)  LDD0631  [10]
 LDCM0315  AC52 HCT 116 C73(1.08); C379(1.08); C269(1.16)  LDD0632  [10]
 LDCM0316  AC53 HCT 116 C73(0.44); C379(0.91); C269(1.20)  LDD0633  [10]
 LDCM0317  AC54 HCT 116 C73(0.37); C379(0.90); C269(1.36)  LDD0634  [10]
 LDCM0318  AC55 HCT 116 C73(0.31); C379(0.92); C269(1.84)  LDD0635  [10]
 LDCM0319  AC56 HCT 116 C73(0.34); C379(1.01); C269(2.44)  LDD0636  [10]
 LDCM0320  AC57 HCT 116 C73(0.33); C379(1.13); C269(1.41)  LDD0637  [10]
 LDCM0321  AC58 HCT 116 C73(0.37); C379(1.12); C269(1.39)  LDD0638  [10]
 LDCM0322  AC59 HCT 116 C73(0.17); C379(1.34); C269(1.58)  LDD0639  [10]
 LDCM0323  AC6 HCT 116 C73(0.89); C269(1.06); C379(1.29)  LDD0640  [10]
 LDCM0324  AC60 HCT 116 C73(0.75); C269(1.38); C379(1.43)  LDD0641  [10]
 LDCM0325  AC61 HCT 116 C269(1.24); C379(1.30); C73(2.06)  LDD0642  [10]
 LDCM0326  AC62 HCT 116 C73(0.17); C379(1.47); C269(1.86)  LDD0643  [10]
 LDCM0327  AC63 HCT 116 C73(0.44); C269(1.58); C379(1.72)  LDD0644  [10]
 LDCM0328  AC64 HCT 116 C73(0.18); C269(1.66); C379(1.67)  LDD0645  [10]
 LDCM0329  AC65 HCT 116 C73(0.37); C379(1.56); C269(1.79)  LDD0646  [10]
 LDCM0330  AC66 HCT 116 C73(0.52); C379(1.26); C269(1.65)  LDD0647  [10]
 LDCM0331  AC67 HCT 116 C73(0.14); C379(1.91); C269(2.86)  LDD0648  [10]
 LDCM0332  AC68 HCT 116 C73(0.59); C379(0.88); C269(1.03)  LDD0649  [10]
 LDCM0333  AC69 HCT 116 C73(0.45); C379(0.87); C269(1.24)  LDD0650  [10]
 LDCM0334  AC7 HCT 116 C73(1.02); C269(1.05); C379(1.16)  LDD0651  [10]
 LDCM0335  AC70 HCT 116 C73(0.20); C379(1.01); C269(1.61)  LDD0652  [10]
 LDCM0336  AC71 HCT 116 C379(0.82); C269(0.95); C73(1.13)  LDD0653  [10]
 LDCM0337  AC72 HCT 116 C73(0.32); C379(0.92); C269(1.24)  LDD0654  [10]
 LDCM0338  AC73 HCT 116 C73(0.19); C379(1.09); C269(2.09)  LDD0655  [10]
 LDCM0339  AC74 HCT 116 C73(0.20); C379(0.87); C269(1.99)  LDD0656  [10]
 LDCM0340  AC75 HCT 116 C73(0.22); C379(0.93); C269(2.32)  LDD0657  [10]
 LDCM0341  AC76 HCT 116 C73(0.26); C379(0.96); C269(1.39)  LDD0658  [10]
 LDCM0342  AC77 HCT 116 C73(0.29); C379(1.09); C269(1.45)  LDD0659  [10]
 LDCM0343  AC78 HCT 116 C379(1.11); C269(1.18); C73(2.20)  LDD0660  [10]
 LDCM0344  AC79 HCT 116 C73(0.51); C379(1.04); C269(1.17)  LDD0661  [10]
 LDCM0345  AC8 HCT 116 C73(0.82); C379(1.15); C269(1.24)  LDD0662  [10]
 LDCM0346  AC80 HCT 116 C73(0.23); C379(1.12); C269(1.24)  LDD0663  [10]
 LDCM0347  AC81 HCT 116 C73(0.69); C269(1.01); C379(1.04)  LDD0664  [10]
 LDCM0348  AC82 HCT 116 C73(0.26); C379(1.10); C269(1.94)  LDD0665  [10]
 LDCM0349  AC83 HCT 116 C73(0.14); C379(1.02); C269(1.19)  LDD0666  [10]
 LDCM0350  AC84 HCT 116 C73(0.17); C379(1.05); C269(1.19)  LDD0667  [10]
 LDCM0351  AC85 HCT 116 C73(0.88); C269(1.27); C379(1.39)  LDD0668  [10]
 LDCM0352  AC86 HCT 116 C73(0.62); C379(1.04); C269(1.12)  LDD0669  [10]
 LDCM0353  AC87 HCT 116 C73(0.91); C379(1.04); C269(1.08)  LDD0670  [10]
 LDCM0354  AC88 HCT 116 C73(0.66); C379(1.04); C269(1.05)  LDD0671  [10]
 LDCM0355  AC89 HCT 116 C73(0.31); C379(1.06); C269(1.10)  LDD0672  [10]
 LDCM0357  AC90 HCT 116 C379(1.03); C269(1.21); C73(2.03)  LDD0674  [10]
 LDCM0358  AC91 HCT 116 C73(0.12); C379(0.94); C269(1.27)  LDD0675  [10]
 LDCM0359  AC92 HCT 116 C73(0.14); C379(1.07); C269(1.32)  LDD0676  [10]
 LDCM0360  AC93 HCT 116 C73(0.49); C379(1.14); C269(1.31)  LDD0677  [10]
 LDCM0361  AC94 HCT 116 C269(1.16); C379(1.22); C73(1.51)  LDD0678  [10]
 LDCM0362  AC95 HCT 116 C379(1.04); C73(1.11); C269(1.15)  LDD0679  [10]
 LDCM0363  AC96 HCT 116 C73(0.45); C269(0.97); C379(1.08)  LDD0680  [10]
 LDCM0364  AC97 HCT 116 C73(0.18); C379(1.02); C269(1.29)  LDD0681  [10]
 LDCM0365  AC98 HCT 116 C73(0.07); C379(0.91); C269(1.41)  LDD0682  [10]
 LDCM0366  AC99 HCT 116 C73(0.61); C379(0.86); C269(1.11)  LDD0683  [10]
 LDCM0248  AKOS034007472 HCT 116 C73(1.00); C269(0.88); C379(1.13)  LDD0565  [10]
 LDCM0356  AKOS034007680 HCT 116 C73(0.98); C269(1.06); C379(1.19)  LDD0673  [10]
 LDCM0275  AKOS034007705 HCT 116 C73(0.59); C379(1.21); C269(1.46)  LDD0592  [10]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [26]
 LDCM0020  ARS-1620 HCC44 C269(0.93)  LDD2171  [10]
 LDCM0498  BS-3668 MDA-MB-231 C379(0.67)  LDD2091  [4]
 LDCM0108  Chloroacetamide HeLa H309(0.00); C269(0.00); H133(0.00); C379(0.00)  LDD0222  [24]
 LDCM0632  CL-Sc Hep-G2 C269(0.88); C73(0.05)  LDD2227  [16]
 LDCM0367  CL1 HCT 116 C73(0.85); C379(0.94); C269(1.01)  LDD0684  [10]
 LDCM0368  CL10 HCT 116 C73(0.47); C379(1.08); C269(1.13)  LDD0685  [10]
 LDCM0369  CL100 HCT 116 C379(1.11); C269(1.16); C73(1.28)  LDD0686  [10]
 LDCM0370  CL101 HCT 116 C73(0.88); C269(0.93); C379(1.14)  LDD0687  [10]
 LDCM0371  CL102 HCT 116 C269(0.91); C379(1.03); C73(1.04)  LDD0688  [10]
 LDCM0372  CL103 HCT 116 C269(0.94); C379(1.00); C73(1.01)  LDD0689  [10]
 LDCM0373  CL104 HCT 116 C73(1.01); C269(1.06); C379(1.07)  LDD0690  [10]
 LDCM0374  CL105 HCT 116 C73(0.64); C269(1.17); C379(1.30)  LDD0691  [10]
 LDCM0375  CL106 HCT 116 C73(0.37); C379(1.46); C269(1.71)  LDD0692  [10]
 LDCM0376  CL107 HCT 116 C73(0.19); C379(1.32); C269(1.63)  LDD0693  [10]
 LDCM0377  CL108 HCT 116 C73(0.11); C379(1.11); C269(1.48)  LDD0694  [10]
 LDCM0378  CL109 HCT 116 C73(0.67); C379(1.19); C269(1.22)  LDD0695  [10]
 LDCM0379  CL11 HCT 116 C73(0.24); C379(0.90); C269(1.19)  LDD0696  [10]
 LDCM0380  CL110 HCT 116 C73(0.34); C379(1.08); C269(1.20)  LDD0697  [10]
 LDCM0381  CL111 HCT 116 C73(0.85); C379(1.20); C269(1.28)  LDD0698  [10]
 LDCM0382  CL112 HCT 116 C379(0.99); C269(1.04); C73(1.10)  LDD0699  [10]
 LDCM0383  CL113 HCT 116 C73(0.42); C269(1.19); C379(1.24)  LDD0700  [10]
 LDCM0384  CL114 HCT 116 C379(1.00); C269(1.23); C73(1.28)  LDD0701  [10]
 LDCM0385  CL115 HCT 116 C73(0.97); C269(1.02); C379(1.12)  LDD0702  [10]
 LDCM0386  CL116 HCT 116 C73(1.07); C269(1.17); C379(1.25)  LDD0703  [10]
 LDCM0387  CL117 HCT 116 C73(0.48); C379(0.91); C269(1.80)  LDD0704  [10]
 LDCM0388  CL118 HCT 116 C269(1.12); C379(1.13); C73(1.25)  LDD0705  [10]
 LDCM0389  CL119 HCT 116 C73(0.78); C379(1.10); C269(1.28)  LDD0706  [10]
 LDCM0390  CL12 HCT 116 C73(0.27); C379(1.08); C269(1.39)  LDD0707  [10]
 LDCM0391  CL120 HCT 116 C379(1.11); C269(1.17); C73(2.13)  LDD0708  [10]
 LDCM0392  CL121 HCT 116 C73(0.66); C269(0.72); C379(1.21)  LDD0709  [10]
 LDCM0393  CL122 HCT 116 C379(1.08); C269(1.14); C73(1.40)  LDD0710  [10]
 LDCM0394  CL123 HCT 116 C73(0.37); C379(0.87); C269(1.17)  LDD0711  [10]
 LDCM0395  CL124 HCT 116 C73(0.32); C379(0.88); C269(1.63)  LDD0712  [10]
 LDCM0396  CL125 HCT 116 C73(1.02); C269(1.06); C379(1.39)  LDD0713  [10]
 LDCM0397  CL126 HCT 116 C269(1.05); C73(1.11); C379(1.14)  LDD0714  [10]
 LDCM0398  CL127 HCT 116 C73(1.11); C269(1.23); C379(1.36)  LDD0715  [10]
 LDCM0399  CL128 HCT 116 C73(0.24); C379(1.17); C269(1.32)  LDD0716  [10]
 LDCM0400  CL13 HCT 116 C73(0.81); C269(1.16); C379(1.20)  LDD0717  [10]
 LDCM0401  CL14 HCT 116 C73(0.85); C379(0.94); C269(0.98)  LDD0718  [10]
 LDCM0402  CL15 HCT 116 C379(1.09); C269(1.18); C73(1.26)  LDD0719  [10]
 LDCM0403  CL16 HCT 116 C73(0.67); C269(1.02); C379(1.48)  LDD0720  [10]
 LDCM0404  CL17 HCT 116 C379(0.98); C269(1.07); C73(1.36)  LDD0721  [10]
 LDCM0405  CL18 HCT 116 C379(1.11); C269(1.21); C73(1.66)  LDD0722  [10]
 LDCM0406  CL19 HCT 116 C73(0.89); C269(0.99); C379(1.17)  LDD0723  [10]
 LDCM0407  CL2 HCT 116 C379(1.03); C73(1.05); C269(1.06)  LDD0724  [10]
 LDCM0408  CL20 HCT 116 C73(0.23); C269(1.28); C379(1.30)  LDD0725  [10]
 LDCM0409  CL21 HCT 116 C73(0.21); C269(1.11); C379(1.19)  LDD0726  [10]
 LDCM0410  CL22 HCT 116 C73(0.16); C379(1.54); C269(1.85)  LDD0727  [10]
 LDCM0411  CL23 HCT 116 C73(0.32); C269(1.18); C379(1.29)  LDD0728  [10]
 LDCM0412  CL24 HCT 116 C73(0.17); C379(1.07); C269(1.36)  LDD0729  [10]
 LDCM0413  CL25 HCT 116 C73(0.21); C269(1.23); C379(1.09)  LDD0730  [10]
 LDCM0414  CL26 HCT 116 C73(0.42); C269(1.12); C379(1.56)  LDD0731  [10]
 LDCM0415  CL27 HCT 116 C73(0.53); C269(0.91); C379(1.10)  LDD0732  [10]
 LDCM0416  CL28 HCT 116 C73(0.33); C269(1.13); C379(1.21)  LDD0733  [10]
 LDCM0417  CL29 HCT 116 C73(0.32); C269(1.19); C379(1.20)  LDD0734  [10]
 LDCM0418  CL3 HCT 116 C73(0.77); C269(1.06); C379(0.96)  LDD0735  [10]
 LDCM0419  CL30 HCT 116 C73(0.86); C269(1.05); C379(1.16)  LDD0736  [10]
 LDCM0420  CL31 HCT 116 C73(1.01); C269(1.00); C379(1.00)  LDD0737  [10]
 LDCM0421  CL32 HCT 116 C73(1.09); C269(1.13); C379(1.11)  LDD0738  [10]
 LDCM0422  CL33 HCT 116 C73(1.01); C269(1.06); C379(1.09)  LDD0739  [10]
 LDCM0423  CL34 HCT 116 C73(0.24); C269(1.43); C379(1.04)  LDD0740  [10]
 LDCM0424  CL35 HCT 116 C73(0.20); C269(1.48); C379(1.18)  LDD0741  [10]
 LDCM0425  CL36 HCT 116 C73(0.28); C269(1.27); C379(1.06)  LDD0742  [10]
 LDCM0426  CL37 HCT 116 C73(0.21); C269(1.70); C379(1.01)  LDD0743  [10]
 LDCM0428  CL39 HCT 116 C73(0.23); C269(1.52); C379(1.10)  LDD0745  [10]
 LDCM0429  CL4 HCT 116 C73(0.84); C269(1.07); C379(0.98)  LDD0746  [10]
 LDCM0430  CL40 HCT 116 C73(0.30); C269(1.25); C379(1.15)  LDD0747  [10]
 LDCM0431  CL41 HCT 116 C73(0.34); C269(1.27); C379(1.06)  LDD0748  [10]
 LDCM0432  CL42 HCT 116 C73(0.20); C269(2.13); C379(1.20)  LDD0749  [10]
 LDCM0433  CL43 HCT 116 C73(0.18); C269(2.05); C379(1.06)  LDD0750  [10]
 LDCM0434  CL44 HCT 116 C73(0.49); C269(1.30); C379(0.99)  LDD0751  [10]
 LDCM0435  CL45 HCT 116 C73(0.32); C269(1.62); C379(0.91)  LDD0752  [10]
 LDCM0436  CL46 HCT 116 C269(0.91); C379(0.88)  LDD0753  [10]
 LDCM0437  CL47 HCT 116 C269(0.90); C379(1.01)  LDD0754  [10]
 LDCM0438  CL48 HCT 116 C269(0.91); C379(0.92)  LDD0755  [10]
 LDCM0439  CL49 HCT 116 C269(0.96); C379(1.10)  LDD0756  [10]
 LDCM0440  CL5 HCT 116 C73(0.82); C269(1.01); C379(0.96)  LDD0757  [10]
 LDCM0441  CL50 HCT 116 C269(0.91); C379(1.00)  LDD0758  [10]
 LDCM0442  CL51 HCT 116 C269(0.89); C379(0.95)  LDD0759  [10]
 LDCM0443  CL52 HCT 116 C269(0.87); C379(0.98)  LDD0760  [10]
 LDCM0444  CL53 HCT 116 C269(0.90); C379(0.84)  LDD0761  [10]
 LDCM0445  CL54 HCT 116 C269(0.92); C379(0.82)  LDD0762  [10]
 LDCM0446  CL55 HCT 116 C269(0.91); C379(0.82)  LDD0763  [10]
 LDCM0447  CL56 HCT 116 C269(0.93); C379(0.96)  LDD0764  [10]
 LDCM0448  CL57 HCT 116 C269(0.81); C379(0.95)  LDD0765  [10]
 LDCM0449  CL58 HCT 116 C269(0.90); C379(0.85)  LDD0766  [10]
 LDCM0450  CL59 HCT 116 C269(0.92); C379(0.98)  LDD0767  [10]
 LDCM0451  CL6 HCT 116 C73(1.24); C269(1.12); C379(0.97)  LDD0768  [10]
 LDCM0452  CL60 HCT 116 C269(0.95); C379(1.01)  LDD0769  [10]
 LDCM0453  CL61 HCT 116 C73(1.67); C269(1.15); C379(1.46)  LDD0770  [10]
 LDCM0454  CL62 HCT 116 C73(0.64); C269(1.13); C379(1.13)  LDD0771  [10]
 LDCM0455  CL63 HCT 116 C73(1.04); C269(1.23); C379(1.37)  LDD0772  [10]
 LDCM0456  CL64 HCT 116 C73(0.67); C269(1.19); C379(1.54)  LDD0773  [10]
 LDCM0457  CL65 HCT 116 C73(1.12); C269(1.08); C379(1.10)  LDD0774  [10]
 LDCM0458  CL66 HCT 116 C73(0.27); C269(1.39); C379(1.21)  LDD0775  [10]
 LDCM0459  CL67 HCT 116 C73(0.53); C269(1.22); C379(1.58)  LDD0776  [10]
 LDCM0460  CL68 HCT 116 C73(1.47); C269(1.12); C379(1.03)  LDD0777  [10]
 LDCM0461  CL69 HCT 116 C73(1.24); C269(1.29); C379(1.22)  LDD0778  [10]
 LDCM0462  CL7 HCT 116 C73(0.35); C269(1.25); C379(1.06)  LDD0779  [10]
 LDCM0463  CL70 HCT 116 C73(1.20); C269(1.19); C379(1.12)  LDD0780  [10]
 LDCM0464  CL71 HCT 116 C73(0.77); C269(1.26); C379(1.29)  LDD0781  [10]
 LDCM0465  CL72 HCT 116 C73(1.27); C269(1.06); C379(1.90)  LDD0782  [10]
 LDCM0466  CL73 HCT 116 C73(0.72); C269(1.47); C379(1.31)  LDD0783  [10]
 LDCM0467  CL74 HCT 116 C73(1.08); C269(1.15); C379(1.47)  LDD0784  [10]
 LDCM0469  CL76 HCT 116 C73(1.16); C269(1.21); C379(0.94)  LDD0786  [10]
 LDCM0470  CL77 HCT 116 C73(0.88); C269(1.01); C379(0.88)  LDD0787  [10]
 LDCM0471  CL78 HCT 116 C73(0.89); C269(1.20); C379(1.07)  LDD0788  [10]
 LDCM0472  CL79 HCT 116 C73(0.26); C269(1.42); C379(0.97)  LDD0789  [10]
 LDCM0473  CL8 HCT 116 C73(0.22); C269(1.38); C379(0.96)  LDD0790  [10]
 LDCM0474  CL80 HCT 116 C73(1.36); C269(1.05); C379(0.88)  LDD0791  [10]
 LDCM0475  CL81 HCT 116 C73(0.73); C269(1.14); C379(0.84)  LDD0792  [10]
 LDCM0476  CL82 HCT 116 C73(0.20); C269(1.77); C379(0.82)  LDD0793  [10]
 LDCM0477  CL83 HCT 116 C73(0.18); C269(1.57); C379(0.86)  LDD0794  [10]
 LDCM0478  CL84 HCT 116 C73(0.17); C269(2.30); C379(0.92)  LDD0795  [10]
 LDCM0479  CL85 HCT 116 C73(0.73); C269(1.32); C379(1.09)  LDD0796  [10]
 LDCM0480  CL86 HCT 116 C73(1.42); C269(1.14); C379(1.03)  LDD0797  [10]
 LDCM0481  CL87 HCT 116 C73(0.67); C269(1.11); C379(0.80)  LDD0798  [10]
 LDCM0482  CL88 HCT 116 C73(0.24); C269(1.50); C379(0.83)  LDD0799  [10]
 LDCM0483  CL89 HCT 116 C73(0.18); C269(2.45); C379(1.04)  LDD0800  [10]
 LDCM0484  CL9 HCT 116 C73(0.42); C269(1.13); C379(0.92)  LDD0801  [10]
 LDCM0485  CL90 HCT 116 C73(0.83); C269(0.89); C379(0.88)  LDD0802  [10]
 LDCM0486  CL91 HCT 116 C73(0.98); C269(1.08); C379(0.88)  LDD0803  [10]
 LDCM0487  CL92 HCT 116 C73(1.38); C269(1.09); C379(0.82)  LDD0804  [10]
 LDCM0488  CL93 HCT 116 C73(1.35); C269(1.09); C379(0.89)  LDD0805  [10]
 LDCM0489  CL94 HCT 116 C73(1.03); C269(1.03); C379(0.95)  LDD0806  [10]
 LDCM0490  CL95 HCT 116 C73(1.00); C269(0.99); C379(0.77)  LDD0807  [10]
 LDCM0491  CL96 HCT 116 C73(1.22); C269(0.99); C379(0.82)  LDD0808  [10]
 LDCM0492  CL97 HCT 116 C73(1.07); C269(1.01); C379(0.95)  LDD0809  [10]
 LDCM0493  CL98 HCT 116 C73(1.19); C269(1.18); C379(1.04)  LDD0810  [10]
 LDCM0494  CL99 HCT 116 C73(1.19); C269(1.09); C379(0.91)  LDD0811  [10]
 LDCM0189  Compound 16 HEK-293T 12.54  LDD0492  [30]
 LDCM0185  Compound 17 HEK-293T 10.06  LDD0504  [30]
 LDCM0182  Compound 18 HEK-293T 5.34  LDD0501  [30]
 LDCM0184  Compound 20 HEK-293T 9.13  LDD0503  [30]
 LDCM0191  Compound 21 HEK-293T 8.02  LDD0493  [30]
 LDCM0186  Compound 31 HEK-293T 5.83  LDD0506  [30]
 LDCM0188  Compound 33 HEK-293T 4.66  LDD0505  [30]
 LDCM0190  Compound 34 HEK-293T 13.90  LDD0497  [30]
 LDCM0192  Compound 35 HEK-293T 6.15  LDD0491  [30]
 LDCM0193  Compound 36 HEK-293T 7.25  LDD0494  [30]
 LDCM0194  Compound 37 HEK-293T 10.30  LDD0498  [30]
 LDCM0195  Compound 38 HEK-293T 6.59  LDD0499  [30]
 LDCM0196  Compound 39 HEK-293T 9.42  LDD0496  [30]
 LDCM0197  Compound 40 HEK-293T 8.26  LDD0495  [30]
 LDCM0181  Compound 41 HEK-293T 6.05  LDD0502  [30]
 LDCM0183  Compound 42 HEK-293T 3.47  LDD0500  [30]
 LDCM0634  CY-0357 Hep-G2 C269(0.68)  LDD2228  [16]
 LDCM0495  E2913 HEK-293T C73(1.02); C379(0.94); C269(0.99)  LDD1698  [35]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C269(4.43)  LDD1702  [4]
 LDCM0175  Ethacrynic acid HeLa C269(1.18)  LDD2210  [6]
 LDCM0625  F8 Ramos C379(0.86); C269(0.83); C73(1.17)  LDD2187  [36]
 LDCM0572  Fragment10 MDA-MB-231 C269(20.00)  LDD1389  [37]
 LDCM0573  Fragment11 MDA-MB-231 C269(1.10)  LDD1391  [37]
 LDCM0574  Fragment12 Ramos C379(0.70); C269(0.65); C73(0.92)  LDD2191  [36]
 LDCM0575  Fragment13 MDA-MB-231 C269(2.72)  LDD1395  [37]
 LDCM0576  Fragment14 MDA-MB-231 C269(0.88)  LDD1397  [37]
 LDCM0577  Fragment15 Ramos C269(0.60)  LDD1400  [37]
 LDCM0579  Fragment20 Ramos C269(0.64)  LDD1403  [37]
 LDCM0580  Fragment21 MDA-MB-231 C269(1.46)  LDD1404  [37]
 LDCM0581  Fragment22 MDA-MB-231 C269(0.95)  LDD1406  [37]
 LDCM0582  Fragment23 MDA-MB-231 C269(0.68)  LDD1408  [37]
 LDCM0583  Fragment24 Ramos C269(0.88)  LDD1410  [37]
 LDCM0584  Fragment25 MDA-MB-231 C269(0.98)  LDD1411  [37]
 LDCM0578  Fragment27 MDA-MB-231 C269(0.36)  LDD1401  [37]
 LDCM0586  Fragment28 MDA-MB-231 C269(1.08)  LDD1415  [37]
 LDCM0587  Fragment29 MDA-MB-231 C269(0.83)  LDD1417  [37]
 LDCM0588  Fragment30 MDA-MB-231 C269(0.70)  LDD1419  [37]
 LDCM0589  Fragment31 MDA-MB-231 C269(0.41)  LDD1421  [37]
 LDCM0590  Fragment32 Ramos C379(0.55); C269(0.57); C73(1.35)  LDD2201  [36]
 LDCM0468  Fragment33 HCT 116 C73(0.85); C269(1.11); C379(1.20)  LDD0785  [10]
 LDCM0594  Fragment36 MDA-MB-231 C269(1.67)  LDD1431  [37]
 LDCM0596  Fragment38 MDA-MB-231 C269(0.69)  LDD1433  [37]
 LDCM0566  Fragment4 MDA-MB-231 C269(1.62)  LDD1378  [37]
 LDCM0598  Fragment40 Ramos C269(0.84)  LDD1437  [37]
 LDCM0599  Fragment41 MDA-MB-231 C269(0.79)  LDD1438  [37]
 LDCM0601  Fragment43 MDA-MB-231 C269(0.76)  LDD1441  [37]
 LDCM0602  Fragment44 MDA-MB-231 C269(0.83)  LDD1443  [37]
 LDCM0603  Fragment45 MDA-MB-231 C269(20.00)  LDD1444  [37]
 LDCM0604  Fragment46 MDA-MB-231 C269(0.57)  LDD1445  [37]
 LDCM0605  Fragment47 MDA-MB-231 C269(0.91)  LDD1446  [37]
 LDCM0606  Fragment48 MDA-MB-231 C269(0.95)  LDD1447  [37]
 LDCM0608  Fragment50 MDA-MB-231 C269(20.00)  LDD1449  [37]
 LDCM0427  Fragment51 HCT 116 C73(0.19); C269(2.22); C379(0.92)  LDD0744  [10]
 LDCM0610  Fragment52 Ramos C379(1.05); C269(0.89)  LDD2204  [36]
 LDCM0612  Fragment54 MDA-MB-231 C269(1.11)  LDD1456  [37]
 LDCM0614  Fragment56 MDA-MB-231 C269(0.91)  LDD1458  [37]
 LDCM0569  Fragment7 MDA-MB-231 C269(1.15)  LDD1383  [37]
 LDCM0570  Fragment8 MDA-MB-231 C269(12.38)  LDD1385  [37]
 LDCM0571  Fragment9 Ramos C269(1.37)  LDD1388  [37]
 LDCM0116  HHS-0101 DM93 Y42(0.91); Y135(0.92)  LDD0264  [8]
 LDCM0117  HHS-0201 DM93 Y135(0.70); Y42(0.95)  LDD0265  [8]
 LDCM0118  HHS-0301 DM93 Y135(0.70); Y42(0.78)  LDD0266  [8]
 LDCM0119  HHS-0401 DM93 Y135(0.81); Y42(0.89)  LDD0267  [8]
 LDCM0120  HHS-0701 DM93 Y135(0.86); Y42(1.45)  LDD0268  [8]
 LDCM0107  IAA HeLa H309(0.00); H133(0.00); C379(0.00)  LDD0221  [24]
 LDCM0123  JWB131 DM93 Y135(0.90); Y139(0.96); Y246(1.03)  LDD0285  [7]
 LDCM0124  JWB142 DM93 Y135(0.50); Y139(1.32); Y246(0.31)  LDD0286  [7]
 LDCM0125  JWB146 DM93 Y135(1.29); Y139(0.96); Y208(0.45); Y246(0.95)  LDD0287  [7]
 LDCM0126  JWB150 DM93 Y135(2.11); Y139(2.37); Y246(4.21)  LDD0288  [7]
 LDCM0127  JWB152 DM93 Y135(1.56); Y139(2.96); Y208(1.18); Y246(1.59)  LDD0289  [7]
 LDCM0128  JWB198 DM93 Y135(0.94); Y139(0.21); Y208(0.61); Y246(0.99)  LDD0290  [7]
 LDCM0129  JWB202 DM93 Y135(0.38); Y139(1.43); Y246(0.34)  LDD0291  [7]
 LDCM0130  JWB211 DM93 Y135(0.82); Y139(0.94); Y246(0.58)  LDD0292  [7]
 LDCM0022  KB02 HCT 116 C269(20.00)  LDD0080  [10]
 LDCM0023  KB03 HCT 116 C269(12.21)  LDD0081  [10]
 LDCM0024  KB05 HCT 116 C269(12.27)  LDD0082  [10]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C379(1.06)  LDD2102  [4]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C379(0.70)  LDD2121  [4]
 LDCM0109  NEM HeLa H309(0.00); H133(0.00)  LDD0223  [24]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C379(0.68)  LDD2089  [4]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C379(1.63)  LDD2090  [4]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C379(1.00)  LDD2092  [4]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C379(0.91)  LDD2097  [4]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C379(0.91)  LDD2098  [4]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C379(1.19)  LDD2099  [4]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C379(0.46); C269(1.00)  LDD2100  [4]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C379(0.44); C269(0.62)  LDD2104  [4]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C379(1.24)  LDD2105  [4]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C379(0.34)  LDD2106  [4]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C379(0.98); C269(1.40)  LDD2107  [4]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C379(0.48)  LDD2108  [4]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C379(0.58)  LDD2109  [4]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C379(0.47)  LDD2110  [4]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C379(0.49)  LDD2114  [4]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C379(0.90)  LDD2123  [4]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C379(0.49)  LDD2133  [4]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C379(1.35)  LDD2136  [4]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C379(1.07)  LDD2137  [4]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C379(0.47); C269(1.37); C73(1.17)  LDD2141  [4]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C379(0.51)  LDD2148  [4]
 LDCM0627  NUDT7-COV-1 HEK-293T C379(0.89); C269(0.53)  LDD2206  [38]
 LDCM0628  OTUB2-COV-1 HEK-293T C379(1.27); C269(0.79)  LDD2207  [38]
 LDCM0131  RA190 MM1.R C379(1.23); C269(1.20)  LDD0304  [39]
 LDCM0021  THZ1 HCT 116 C269(0.93)  LDD2173  [10]
 LDCM0110  W12 Hep-G2 C269(7.93)  LDD0237  [25]
 LDCM0111  W14 Hep-G2 C269(0.69)  LDD0238  [25]
 LDCM0112  W16 Hep-G2 K126(1.18)  LDD0239  [25]
 LDCM0113  W17 Hep-G2 C269(0.79)  LDD0240  [25]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 5 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial (DLST) 2-oxoacid dehydrogenase family P36957
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) Isocitrate and isopropylmalate dehydrogenases family O75874
cAMP-dependent protein kinase catalytic subunit alpha (PRKACA) AGC Ser/Thr protein kinase family P17612
Serine/threonine-protein kinase Nek7 (NEK7) NEK Ser/Thr protein kinase family Q8TDX7
TGF-beta receptor type-2 (TGFBR2) TKL Ser/Thr protein kinase family P37173
Transporter and channel
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Calreticulin (CALR) Calreticulin family P27797
Immunoglobulin
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Platelet endothelial cell adhesion molecule (PECAM1) . P16284
Other
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Calmodulin-1 (CALM1) Calmodulin family P0DP23
Serpin H1 (SERPINH1) Serpin family P50454

The Drug(s) Related To This Target

Approved
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Ivosidenib Small molecular drug DB14568
Olutasidenib . DB16267
Phase 1
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Bay1436032 . D0C6RM
Investigative
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Isocitric Acid Small molecular drug DB01727
Nicotinamide Adenine Dinucleotide Phosphate . DB03461

References

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2 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.
3 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
4 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
5 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.
6 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.
7 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.
8 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
9 Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
10 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.
11 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
12 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.
13 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
14 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
15 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
16 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
17 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
18 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
19 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
20 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
21 Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows. bioRxiv [Preprint]. 2023 Feb 18:2023.02.17.529022. doi: 10.1101/2023.02.17.529022.
Mass spectrometry data entry: PXD039931
22 Oxidative cyclization reagents reveal tryptophan cation- interactions. Nature. 2024 Mar;627(8004):680-687. doi: 10.1038/s41586-024-07140-6. Epub 2024 Mar 6.
Mass spectrometry data entry: PXD001377 , PXD005252
23 Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112107. doi: 10.1002/anie.202112107. Epub 2021 Dec 16.
24 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.
25 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.
26 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.
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 Differently Tagged Probes for Protein Profiling of Mitochondria. Chembiochem. 2019 May 2;20(9):1155-1160. doi: 10.1002/cbic.201800735. Epub 2019 Mar 26.
29 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
30 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
31 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
32 Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
33 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.
34 Kinase Photoaffinity Labeling Reveals Low Selectivity Profile of the IRE1 Targeting Imidazopyrazine-Based KIRA6 Inhibitor. ACS Chem Biol. 2020 Dec 18;15(12):3106-3111. doi: 10.1021/acschembio.0c00802. Epub 2020 Dec 8.
Mass spectrometry data entry: PXD022628
35 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
36 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
37 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.
38 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.
39 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.