Details of the Target

General Information of Target

Target ID LDTP03912
Target Name Trifunctional enzyme subunit alpha, mitochondrial (HADHA)
Gene Name HADHA
Gene ID 3030
Synonyms
HADH; Trifunctional enzyme subunit alpha, mitochondrial; 78 kDa gastrin-binding protein; Monolysocardiolipin acyltransferase; EC 2.3.1.-; TP-alpha) [Includes: Long-chain enoyl-CoA hydratase; EC 4.2.1.17; Long chain 3-hydroxyacyl-CoA dehydrogenase; EC 1.1.1.211)]
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MVACRAIGILSRFSAFRILRSRGYICRNFTGSSALLTRTHINYGVKGDVAVVRINSPNSK
VNTLSKELHSEFSEVMNEIWASDQIRSAVLISSKPGCFIAGADINMLAACKTLQEVTQLS
QEAQRIVEKLEKSTKPIVAAINGSCLGGGLEVAISCQYRIATKDRKTVLGTPEVLLGALP
GAGGTQRLPKMVGVPAALDMMLTGRSIRADRAKKMGLVDQLVEPLGPGLKPPEERTIEYL
EEVAITFAKGLADKKISPKRDKGLVEKLTAYAMTIPFVRQQVYKKVEEKVRKQTKGLYPA
PLKIIDVVKTGIEQGSDAGYLCESQKFGELVMTKESKALMGLYHGQVLCKKNKFGAPQKD
VKHLAILGAGLMGAGIAQVSVDKGLKTILKDATLTALDRGQQQVFKGLNDKVKKKALTSF
ERDSIFSNLTGQLDYQGFEKADMVIEAVFEDLSLKHRVLKEVEAVIPDHCIFASNTSALP
ISEIAAVSKRPEKVIGMHYFSPVDKMQLLEIITTEKTSKDTSASAVAVGLKQGKVIIVVK
DGPGFYTTRCLAPMMSEVIRILQEGVDPKKLDSLTTSFGFPVGAATLVDEVGVDVAKHVA
EDLGKVFGERFGGGNPELLTQMVSKGFLGRKSGKGFYIYQEGVKRKDLNSDMDSILASLK
LPPKSEVSSDEDIQFRLVTRFVNEAVMCLQEGILATPAEGDIGAVFGLGFPPCLGGPFRF
VDLYGAQKIVDRLKKYEAAYGKQFTPCQLLADHANSPNKKFYQ
Target Bioclass
Enzyme
Family
Enoyl-CoA hydratase/isomerase family; 3-hydroxyacyl-CoA dehydrogenase family
Subcellular location
Mitochondrion
Function
Mitochondrial trifunctional enzyme catalyzes the last three of the four reactions of the mitochondrial beta-oxidation pathway. The mitochondrial beta-oxidation pathway is the major energy-producing process in tissues and is performed through four consecutive reactions breaking down fatty acids into acetyl-CoA. Among the enzymes involved in this pathway, the trifunctional enzyme exhibits specificity for long-chain fatty acids. Mitochondrial trifunctional enzyme is a heterotetrameric complex composed of two proteins, the trifunctional enzyme subunit alpha/HADHA described here carries the 2,3-enoyl-CoA hydratase and the 3-hydroxyacyl-CoA dehydrogenase activities while the trifunctional enzyme subunit beta/HADHB bears the 3-ketoacyl-CoA thiolase activity. Independently of the subunit beta, the trifunctional enzyme subunit alpha/HADHA also has a monolysocardiolipin acyltransferase activity. It acylates monolysocardiolipin into cardiolipin, a major mitochondrial membrane phospholipid which plays a key role in apoptosis and supports mitochondrial respiratory chain complexes in the generation of ATP. Allows the acylation of monolysocardiolipin with different acyl-CoA substrates including oleoyl-CoA for which it displays the highest activity.
Uniprot ID
P40939
Ensemble ID
ENST00000380649.8
HGNC ID
HGNC:4801
ChEMBL ID
CHEMBL4295759

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
HCT15 SNV: p.Q621H DBIA    Probe Info 
KYSE180 SNV: p.G614R DBIA    Probe Info 
NCIH1155 SNV: p.F744I DBIA    Probe Info 
NCIH2286 SNV: p.G250Ter DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 53 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		6.31  LDD0402  [2]
A-EBA
 Probe Info  		3.76  LDD0215  [3]
CY-1
 Probe Info  		100.00  LDD0243  [4]
CY4
 Probe Info  		100.00  LDD0244  [4]
N1
 Probe Info  		100.00  LDD0242  [4]
TH211
 Probe Info  		Y343(5.79)  LDD0257  [5]
TH214
 Probe Info  		Y271(20.00)  LDD0258  [5]
TH216
 Probe Info  		Y298(20.00); Y271(18.99)  LDD0259  [5]
YN-4
 Probe Info  		100.00  LDD0445  [6]
ONAyne
 Probe Info  		K163(7.86); K386(0.56)  LDD0274  [7]
AZ-9
 Probe Info  		E122(10.00)  LDD2209  [8]
Probe 1
 Probe Info  		Y43(11.38); Y298(16.26); Y320(16.05); Y546(19.06)  LDD3495  [9]
THZ1-DTB
 Probe Info  		C713(1.01)  LDD0460  [10]
BTD
 Probe Info  		C747(0.70)  LDD2089  [11]
AHL-Pu-1
 Probe Info  		C550(2.22)  LDD0168  [12]
HHS-475
 Probe Info  		Y343(0.82)  LDD0264  [13]
DBIA
 Probe Info  		C322(0.95)  LDD0078  [14]
5E-2FA
 Probe Info  		H344(0.00); H363(0.00); H469(0.00); H753(0.00)  LDD2235  [15]
AMP probe
 Probe Info  		K644(0.00); K350(0.00); K351(0.00)  LDD0200  [16]
ATP probe
 Probe Info  		K644(0.00); K350(0.00); K351(0.00); K60(0.00)  LDD0199  [16]
4-Iodoacetamidophenylacetylene
 Probe Info  		C349(0.00); C550(0.00); C470(0.00); C747(0.00)  LDD0038  [17]
IA-alkyne
 Probe Info  		C322(0.00); C470(0.00); C349(0.00); C550(0.00)  LDD0032  [18]
IPIAA_L
 Probe Info  		C322(0.00); C470(0.00)  LDD0031  [19]
Lodoacetamide azide
 Probe Info  		C349(0.00); C470(0.00); C747(0.00); C322(0.00)  LDD0037  [17]
ATP probe
 Probe Info  		K214(0.00); K646(0.00); K728(0.00); K267(0.00)  LDD0035  [20]
IPM
 Probe Info  		C747(0.00); C349(0.00); C322(0.00)  LDD0025  [21]
JW-RF-010
 Probe Info  		N.A.  LDD0026  [21]
NAIA_4
 Probe Info  		N.A.  LDD2226  [22]
TFBX
 Probe Info  		N.A.  LDD0027  [21]
WYneN
 Probe Info  		N.A.  LDD0021  [23]
WYneO
 Probe Info  		C747(0.00); C322(0.00)  LDD0022  [23]
1d-yne
 Probe Info  		K166(0.00); K66(0.00)  LDD0356  [24]
Compound 10
 Probe Info  		C322(0.00); C470(0.00); C747(0.00)  LDD2216  [25]
Compound 11
 Probe Info  		C470(0.00); C747(0.00)  LDD2213  [25]
ENE
 Probe Info  		N.A.  LDD0006  [23]
NHS
 Probe Info  		K728(0.00); K60(0.00); K334(0.00); K303(0.00)  LDD0010  [23]
OSF
 Probe Info  		N.A.  LDD0029  [26]
PF-06672131
 Probe Info  		N.A.  LDD0152  [27]
PPMS
 Probe Info  		N.A.  LDD0008  [23]
SF
 Probe Info  		Y298(0.00); K289(0.00); Y343(0.00)  LDD0028  [26]
STPyne
 Probe Info  		N.A.  LDD0009  [23]
VSF
 Probe Info  		C470(0.00); C322(0.00)  LDD0007  [23]
1c-yne
 Probe Info  		K519(0.00); K214(0.00); K326(0.00); K460(0.00)  LDD0228  [24]
Acrolein
 Probe Info  		C747(0.00); C322(0.00); C349(0.00); H598(0.00)  LDD0217  [28]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [28]
Crotonaldehyde
 Probe Info  		C322(0.00); H598(0.00); C747(0.00); C550(0.00)  LDD0219  [28]
Methacrolein
 Probe Info  		C747(0.00); C322(0.00)  LDD0218  [28]
W1
 Probe Info  		C322(0.00); C349(0.00); E74(0.00); N77(0.00)  LDD0236  [29]
AOyne
 Probe Info  		4.60  LDD0443  [30]
NAIA_5
 Probe Info  		C349(0.00); C550(0.00); C747(0.00); C110(0.00)  LDD2223  [22]
TER-AC
 Probe Info  		N.A.  LDD0426  [31]
HHS-465
 Probe Info  		Y343(0.00); K350(0.00)  LDD2240  [32]
HHS-482
 Probe Info  		Y271(0.77)  LDD2239  [33]
PAL-AfBPP Probe
Click To Hide/Show 43 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C072
 Probe Info  		9.13  LDD1768  [34]
C092
 Probe Info  		20.82  LDD1783  [34]
C094
 Probe Info  		30.27  LDD1785  [34]
C112
 Probe Info  		20.39  LDD1799  [34]
C129
 Probe Info  		6.36  LDD1811  [34]
C130
 Probe Info  		8.69  LDD1812  [34]
C135
 Probe Info  		22.63  LDD1817  [34]
C142
 Probe Info  		5.50  LDD1824  [34]
C158
 Probe Info  		32.90  LDD1838  [34]
C186
 Probe Info  		7.94  LDD1864  [34]
C187
 Probe Info  		99.73  LDD1865  [34]
C191
 Probe Info  		11.24  LDD1868  [34]
C193
 Probe Info  		7.78  LDD1869  [34]
C198
 Probe Info  		14.42  LDD1874  [34]
C201
 Probe Info  		41.07  LDD1877  [34]
C211
 Probe Info  		10.41  LDD1885  [34]
C218
 Probe Info  		11.31  LDD1892  [34]
C220
 Probe Info  		11.55  LDD1894  [34]
C226
 Probe Info  		6.50  LDD1899  [34]
C228
 Probe Info  		15.56  LDD1901  [34]
C235
 Probe Info  		23.75  LDD1908  [34]
C252
 Probe Info  		13.45  LDD1925  [34]
C264
 Probe Info  		17.27  LDD1935  [34]
C282
 Probe Info  		17.03  LDD1952  [34]
C284
 Probe Info  		20.82  LDD1954  [34]
C320
 Probe Info  		6.06  LDD1986  [34]
C414
 Probe Info  		6.11  LDD2070  [34]
FFF probe11
 Probe Info  		20.00  LDD0471  [35]
FFF probe13
 Probe Info  		15.18  LDD0475  [35]
FFF probe14
 Probe Info  		12.97  LDD0477  [35]
FFF probe15
 Probe Info  		5.05  LDD0478  [35]
FFF probe2
 Probe Info  		20.00  LDD0463  [35]
FFF probe3
 Probe Info  		18.63  LDD0464  [35]
FFF probe4
 Probe Info  		16.11  LDD0466  [35]
JN0003
 Probe Info  		20.00  LDD0469  [35]
STS-1
 Probe Info  		N.A.  LDD0137  [36]
STS-2
 Probe Info  		N.A.  LDD0138  [36]
VE-P
 Probe Info  		N.A.  LDD0396  [37]
A-DA
 Probe Info  		2.44  LDD0142  [38]
Kambe_26
 Probe Info  		2.72  LDD0134  [39]
pLen
 Probe Info  		2.04  LDD0256  [40]
DA-2
 Probe Info  		N.A.  LDD0071  [41]
OEA-DA
 Probe Info  		19.42  LDD0046  [42]

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 C747(0.55)  LDD2142  [11]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C322(1.00); C747(0.89)  LDD2112  [11]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C322(0.47)  LDD2095  [11]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C470(1.12)  LDD2130  [11]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C322(0.82); C747(0.98)  LDD2117  [11]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C747(0.87)  LDD2103  [11]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C747(0.46); C470(0.49); C349(1.18)  LDD2132  [11]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C747(0.76)  LDD2131  [11]
 LDCM0025  4SU-RNA HEK-293T C550(2.22)  LDD0168  [12]
 LDCM0026  4SU-RNA+native RNA HEK-293T C550(4.55)  LDD0169  [12]
 LDCM0214  AC1 HCT 116 C145(0.63); C156(0.65); C110(1.02); C322(1.17)  LDD0531  [14]
 LDCM0215  AC10 HCT 116 C110(1.04); C322(1.10); C550(1.15); C747(0.91)  LDD0532  [14]
 LDCM0216  AC100 HCT 116 C145(1.21); C156(1.21); C110(0.88); C322(0.86)  LDD0533  [14]
 LDCM0217  AC101 HCT 116 C145(1.13); C156(1.13); C110(0.86); C322(0.79)  LDD0534  [14]
 LDCM0218  AC102 HCT 116 C145(1.00); C156(1.00); C110(0.79); C322(0.74)  LDD0535  [14]
 LDCM0219  AC103 HCT 116 C145(1.16); C156(1.16); C110(0.80); C322(0.72)  LDD0536  [14]
 LDCM0220  AC104 HCT 116 C145(1.40); C156(1.40); C110(0.77); C322(0.66)  LDD0537  [14]
 LDCM0221  AC105 HCT 116 C145(1.09); C156(1.09); C110(0.78); C322(0.72)  LDD0538  [14]
 LDCM0222  AC106 HCT 116 C145(1.20); C156(1.20); C110(0.82); C322(0.77)  LDD0539  [14]
 LDCM0223  AC107 HCT 116 C145(1.15); C156(1.15); C110(0.93); C322(0.66)  LDD0540  [14]
 LDCM0224  AC108 HCT 116 C145(0.99); C156(0.99); C110(0.86); C322(0.98)  LDD0541  [14]
 LDCM0225  AC109 HCT 116 C145(1.24); C156(1.24); C110(0.87); C322(0.86)  LDD0542  [14]
 LDCM0226  AC11 HCT 116 C110(1.12); C322(0.92); C550(0.96); C747(0.78)  LDD0543  [14]
 LDCM0227  AC110 HCT 116 C145(1.11); C156(1.11); C110(0.85); C322(0.90)  LDD0544  [14]
 LDCM0228  AC111 HCT 116 C145(1.51); C156(1.51); C110(0.85); C322(0.87)  LDD0545  [14]
 LDCM0229  AC112 HCT 116 C145(1.13); C156(1.13); C110(0.78); C322(0.73)  LDD0546  [14]
 LDCM0230  AC113 HCT 116 C110(0.96); C322(1.07); C349(1.30); C550(1.14)  LDD0547  [14]
 LDCM0231  AC114 HCT 116 C110(0.94); C322(0.81); C349(0.82); C550(0.90)  LDD0548  [14]
 LDCM0232  AC115 HCT 116 C110(1.05); C322(0.85); C349(0.64); C550(0.83)  LDD0549  [14]
 LDCM0233  AC116 HCT 116 C110(0.94); C322(0.81); C349(0.74); C550(0.74)  LDD0550  [14]
 LDCM0234  AC117 HCT 116 C110(0.93); C322(0.94); C349(1.03); C550(0.93)  LDD0551  [14]
 LDCM0235  AC118 HCT 116 C110(0.91); C322(0.88); C349(0.90); C550(0.99)  LDD0552  [14]
 LDCM0236  AC119 HCT 116 C110(0.96); C322(0.85); C349(0.77); C550(0.98)  LDD0553  [14]
 LDCM0237  AC12 HCT 116 C110(1.00); C322(1.16); C550(1.10); C747(0.98)  LDD0554  [14]
 LDCM0238  AC120 HCT 116 C110(0.94); C322(0.83); C349(0.78); C550(0.87)  LDD0555  [14]
 LDCM0239  AC121 HCT 116 C110(1.00); C322(1.04); C349(0.98); C550(1.07)  LDD0556  [14]
 LDCM0240  AC122 HCT 116 C110(1.11); C322(1.04); C349(0.86); C550(0.96)  LDD0557  [14]
 LDCM0241  AC123 HCT 116 C110(1.42); C322(1.03); C349(0.96); C550(1.01)  LDD0558  [14]
 LDCM0242  AC124 HCT 116 C110(1.08); C322(0.92); C349(0.79); C550(1.21)  LDD0559  [14]
 LDCM0243  AC125 HCT 116 C110(1.02); C322(0.95); C349(1.01); C550(1.04)  LDD0560  [14]
 LDCM0244  AC126 HCT 116 C110(1.02); C322(0.84); C349(0.70); C550(0.67)  LDD0561  [14]
 LDCM0245  AC127 HCT 116 C110(0.89); C322(0.84); C349(0.66); C550(0.81)  LDD0562  [14]
 LDCM0246  AC128 HCT 116 C110(1.25); C322(1.01); C349(1.17); C747(0.80)  LDD0563  [14]
 LDCM0247  AC129 HCT 116 C110(1.00); C322(1.15); C349(1.08); C747(1.25)  LDD0564  [14]
 LDCM0249  AC130 HCT 116 C110(1.18); C322(1.12); C349(0.97); C747(0.88)  LDD0566  [14]
 LDCM0250  AC131 HCT 116 C110(1.03); C322(1.08); C349(1.01); C747(1.08)  LDD0567  [14]
 LDCM0251  AC132 HCT 116 C110(1.14); C322(1.40); C349(0.95); C747(1.10)  LDD0568  [14]
 LDCM0252  AC133 HCT 116 C110(1.05); C322(1.01); C349(1.00); C747(0.94)  LDD0569  [14]
 LDCM0253  AC134 HCT 116 C110(1.13); C322(1.07); C349(0.96); C747(0.86)  LDD0570  [14]
 LDCM0254  AC135 HCT 116 C110(1.18); C322(1.11); C349(0.94); C747(0.82)  LDD0571  [14]
 LDCM0255  AC136 HCT 116 C110(1.05); C322(1.11); C349(0.92); C747(1.01)  LDD0572  [14]
 LDCM0256  AC137 HCT 116 C110(1.03); C322(1.22); C349(0.92); C747(1.00)  LDD0573  [14]
 LDCM0257  AC138 HCT 116 C110(1.14); C322(1.27); C349(1.22); C747(0.91)  LDD0574  [14]
 LDCM0258  AC139 HCT 116 C110(0.96); C322(1.11); C349(0.77); C747(0.91)  LDD0575  [14]
 LDCM0259  AC14 HCT 116 C110(1.09); C322(0.92); C550(0.94); C747(0.81)  LDD0576  [14]
 LDCM0260  AC140 HCT 116 C110(1.09); C322(1.20); C349(0.95); C747(0.97)  LDD0577  [14]
 LDCM0261  AC141 HCT 116 C110(1.20); C322(1.15); C349(1.05); C747(0.96)  LDD0578  [14]
 LDCM0262  AC142 HCT 116 C110(0.96); C322(1.20); C349(0.91); C747(0.96)  LDD0579  [14]
 LDCM0263  AC143 HCT 116 C145(0.84); C156(0.84); C110(0.90); C322(1.01)  LDD0580  [14]
 LDCM0264  AC144 HCT 116 C145(0.60); C156(0.60); C349(0.67); C97(0.72)  LDD0581  [14]
 LDCM0265  AC145 HCT 116 C145(0.74); C156(0.74); C349(0.77); C110(0.78)  LDD0582  [14]
 LDCM0266  AC146 HCT 116 C145(0.56); C156(0.56); C747(0.57); C349(0.73)  LDD0583  [14]
 LDCM0267  AC147 HCT 116 C145(0.51); C156(0.51); C349(0.59); C97(0.73)  LDD0584  [14]
 LDCM0268  AC148 HCT 116 C145(0.42); C156(0.42); C747(0.46); C97(0.62)  LDD0585  [14]
 LDCM0269  AC149 HCT 116 C145(0.44); C156(0.44); C747(0.53); C97(0.68)  LDD0586  [14]
 LDCM0270  AC15 HCT 116 C747(0.89); C97(1.01); C550(1.03); C322(1.09)  LDD0587  [14]
 LDCM0271  AC150 HCT 116 C110(0.81); C145(0.83); C156(0.83); C97(0.84)  LDD0588  [14]
 LDCM0272  AC151 HCT 116 C349(0.76); C747(0.76); C97(0.85); C110(0.88)  LDD0589  [14]
 LDCM0273  AC152 HCT 116 C145(0.50); C156(0.50); C747(0.60); C349(0.65)  LDD0590  [14]
 LDCM0274  AC153 HCT 116 C747(0.40); C145(0.40); C156(0.40); C97(0.69)  LDD0591  [14]
 LDCM0621  AC154 HCT 116 C145(0.65); C156(0.65); C110(0.84); C322(0.84)  LDD2158  [14]
 LDCM0622  AC155 HCT 116 C145(0.70); C156(0.70); C110(0.78); C322(0.86)  LDD2159  [14]
 LDCM0623  AC156 HCT 116 C145(1.58); C156(1.58); C110(0.78); C322(0.86)  LDD2160  [14]
 LDCM0624  AC157 HCT 116 C145(1.77); C156(1.77); C110(0.82); C322(0.92)  LDD2161  [14]
 LDCM0276  AC17 HCT 116 C145(0.89); C110(0.94); C97(0.94); C349(0.97)  LDD0593  [14]
 LDCM0277  AC18 HCT 116 C747(0.74); C97(0.78); C110(0.78); C145(0.92)  LDD0594  [14]
 LDCM0278  AC19 HCT 116 C97(0.89); C110(0.90); C145(0.94); C747(1.00)  LDD0595  [14]
 LDCM0279  AC2 HCT 116 C145(0.72); C156(0.76); C747(0.90); C550(0.91)  LDD0596  [14]
 LDCM0280  AC20 HCT 116 C145(0.91); C97(0.99); C747(1.00); C110(1.05)  LDD0597  [14]
 LDCM0281  AC21 HCT 116 C145(0.78); C97(0.89); C322(0.90); C110(0.91)  LDD0598  [14]
 LDCM0282  AC22 HCT 116 C145(0.92); C349(1.02); C110(1.03); C747(1.05)  LDD0599  [14]
 LDCM0283  AC23 HCT 116 C110(0.86); C97(0.90); C349(1.08); C747(1.08)  LDD0600  [14]
 LDCM0284  AC24 HCT 116 C145(0.81); C349(0.98); C97(1.08); C747(1.13)  LDD0601  [14]
 LDCM0285  AC25 HCT 116 C156(0.51); C550(0.57); C145(0.75); C97(0.89)  LDD0602  [14]
 LDCM0286  AC26 HCT 116 C156(0.68); C550(0.69); C145(0.77); C97(0.83)  LDD0603  [14]
 LDCM0287  AC27 HCT 116 C156(0.49); C550(0.59); C145(0.72); C97(0.80)  LDD0604  [14]
 LDCM0288  AC28 HCT 116 C156(0.59); C550(0.65); C97(0.73); C145(0.73)  LDD0605  [14]
 LDCM0289  AC29 HCT 116 C550(0.58); C156(0.68); C747(0.71); C97(0.73)  LDD0606  [14]
 LDCM0290  AC3 HCT 116 C145(0.73); C550(0.81); C156(0.85); C97(0.91)  LDD0607  [14]
 LDCM0291  AC30 HCT 116 C156(0.57); C550(0.64); C747(0.70); C145(0.72)  LDD0608  [14]
 LDCM0292  AC31 HCT 116 C156(0.53); C145(0.68); C97(0.78); C349(0.83)  LDD0609  [14]
 LDCM0293  AC32 HCT 116 C156(0.48); C550(0.65); C145(0.66); C747(0.67)  LDD0610  [14]
 LDCM0294  AC33 HCT 116 C156(0.53); C550(0.61); C747(0.69); C97(0.71)  LDD0611  [14]
 LDCM0295  AC34 HCT 116 C156(0.45); C97(0.60); C110(0.64); C550(0.66)  LDD0612  [14]
 LDCM0296  AC35 HCT 116 C110(0.98); C97(0.98); C550(1.03); C322(1.07)  LDD0613  [14]
 LDCM0297  AC36 HCT 116 C110(0.86); C97(0.86); C322(1.01); C349(1.14)  LDD0614  [14]
 LDCM0298  AC37 HCT 116 C110(0.81); C97(0.81); C145(0.92); C156(0.92)  LDD0615  [14]
 LDCM0299  AC38 HCT 116 C110(0.75); C97(0.75); C145(1.00); C156(1.00)  LDD0616  [14]
 LDCM0300  AC39 HCT 116 C145(0.77); C156(0.77); C110(0.83); C97(0.83)  LDD0617  [14]
 LDCM0301  AC4 HCT 116 C145(0.67); C156(0.72); C550(0.88); C97(1.02)  LDD0618  [14]
 LDCM0302  AC40 HCT 116 C747(0.74); C110(0.91); C97(0.91); C145(0.92)  LDD0619  [14]
 LDCM0303  AC41 HCT 116 C110(0.76); C97(0.76); C550(0.96); C349(0.96)  LDD0620  [14]
 LDCM0304  AC42 HCT 116 C110(0.80); C97(0.80); C322(0.92); C747(0.95)  LDD0621  [14]
 LDCM0305  AC43 HCT 116 C747(0.83); C145(0.84); C156(0.84); C110(0.85)  LDD0622  [14]
 LDCM0306  AC44 HCT 116 C747(0.87); C349(0.90); C145(0.91); C156(0.91)  LDD0623  [14]
 LDCM0307  AC45 HCT 116 C747(0.76); C110(0.82); C97(0.82); C349(0.84)  LDD0624  [14]
 LDCM0308  AC46 HCT 116 C97(0.86); C550(0.88); C747(0.93); C349(0.94)  LDD0625  [14]
 LDCM0309  AC47 HCT 116 C550(0.84); C349(0.89); C97(0.93); C747(1.01)  LDD0626  [14]
 LDCM0310  AC48 HCT 116 C747(0.80); C97(0.82); C550(0.83); C110(0.86)  LDD0627  [14]
 LDCM0311  AC49 HCT 116 C747(0.67); C349(0.74); C550(0.78); C97(0.85)  LDD0628  [14]
 LDCM0312  AC5 HCT 116 C145(0.63); C156(0.65); C550(0.77); C97(1.01)  LDD0629  [14]
 LDCM0313  AC50 HCT 116 C747(0.63); C349(0.73); C550(0.85); C97(0.87)  LDD0630  [14]
 LDCM0314  AC51 HCT 116 C110(0.79); C550(1.04); C747(1.08); C97(1.10)  LDD0631  [14]
 LDCM0315  AC52 HCT 116 C97(0.83); C747(0.90); C349(1.01); C322(1.03)  LDD0632  [14]
 LDCM0316  AC53 HCT 116 C349(0.76); C747(0.79); C550(0.79); C322(0.91)  LDD0633  [14]
 LDCM0317  AC54 HCT 116 C349(0.75); C747(0.79); C550(0.83); C322(0.94)  LDD0634  [14]
 LDCM0318  AC55 HCT 116 C349(0.63); C747(0.69); C550(0.77); C322(0.90)  LDD0635  [14]
 LDCM0319  AC56 HCT 116 C747(0.65); C349(0.77); C97(0.82); C550(0.89)  LDD0636  [14]
 LDCM0320  AC57 HCT 116 C747(0.68); C550(0.84); C110(0.85); C97(0.89)  LDD0637  [14]
 LDCM0321  AC58 HCT 116 C747(0.65); C110(0.87); C97(0.92); C550(0.94)  LDD0638  [14]
 LDCM0322  AC59 HCT 116 C747(0.56); C550(0.72); C97(0.89); C110(0.89)  LDD0639  [14]
 LDCM0323  AC6 HCT 116 C747(0.74); C550(0.93); C97(0.99); C110(1.04)  LDD0640  [14]
 LDCM0324  AC60 HCT 116 C747(0.60); C550(0.75); C145(0.81); C156(0.81)  LDD0641  [14]
 LDCM0325  AC61 HCT 116 C747(0.55); C550(0.70); C145(0.78); C156(0.78)  LDD0642  [14]
 LDCM0326  AC62 HCT 116 C747(0.56); C550(0.75); C97(0.92); C145(0.93)  LDD0643  [14]
 LDCM0327  AC63 HCT 116 C747(0.62); C550(0.81); C110(0.88); C97(0.90)  LDD0644  [14]
 LDCM0328  AC64 HCT 116 C747(0.54); C145(0.72); C156(0.72); C550(0.88)  LDD0645  [14]
 LDCM0329  AC65 HCT 116 C747(0.64); C145(0.75); C156(0.75); C550(0.78)  LDD0646  [14]
 LDCM0330  AC66 HCT 116 C747(0.68); C550(0.72); C145(0.86); C156(0.86)  LDD0647  [14]
 LDCM0331  AC67 HCT 116 C747(0.49); C550(0.62); C97(0.81); C110(0.87)  LDD0648  [14]
 LDCM0332  AC68 HCT 116 C747(0.86); C97(0.87); C349(0.88); C322(0.92)  LDD0649  [14]
 LDCM0333  AC69 HCT 116 C349(0.80); C97(0.90); C322(0.93); C747(0.99)  LDD0650  [14]
 LDCM0334  AC7 HCT 116 C747(0.83); C550(0.84); C97(0.91); C110(1.01)  LDD0651  [14]
 LDCM0335  AC70 HCT 116 C349(0.68); C97(0.80); C747(0.80); C322(0.85)  LDD0652  [14]
 LDCM0336  AC71 HCT 116 C349(0.97); C322(1.02); C747(1.04); C110(1.11)  LDD0653  [14]
 LDCM0337  AC72 HCT 116 C349(0.82); C322(0.88); C97(0.90); C747(0.90)  LDD0654  [14]
 LDCM0338  AC73 HCT 116 C349(0.78); C97(0.82); C747(0.83); C550(0.88)  LDD0655  [14]
 LDCM0339  AC74 HCT 116 C349(0.83); C97(0.83); C747(0.92); C322(0.94)  LDD0656  [14]
 LDCM0340  AC75 HCT 116 C349(0.75); C97(0.78); C747(0.85); C322(0.92)  LDD0657  [14]
 LDCM0341  AC76 HCT 116 C349(0.88); C97(0.94); C322(0.95); C747(0.98)  LDD0658  [14]
 LDCM0342  AC77 HCT 116 C349(0.76); C747(0.88); C322(0.96); C97(0.97)  LDD0659  [14]
 LDCM0343  AC78 HCT 116 C349(0.79); C747(0.88); C97(0.89); C550(0.93)  LDD0660  [14]
 LDCM0344  AC79 HCT 116 C349(0.79); C550(0.96); C747(0.97); C322(0.98)  LDD0661  [14]
 LDCM0345  AC8 HCT 116 C747(0.76); C97(0.82); C110(0.99); C322(1.09)  LDD0662  [14]
 LDCM0346  AC80 HCT 116 C349(0.77); C97(0.87); C322(0.88); C747(0.94)  LDD0663  [14]
 LDCM0347  AC81 HCT 116 C349(0.80); C747(0.85); C145(0.87); C156(0.87)  LDD0664  [14]
 LDCM0348  AC82 HCT 116 C349(0.76); C747(0.80); C550(0.83); C97(0.88)  LDD0665  [14]
 LDCM0349  AC83 HCT 116 C349(0.20); C747(0.71); C322(0.81); C145(0.85)  LDD0666  [14]
 LDCM0350  AC84 HCT 116 C349(0.23); C747(0.73); C322(0.82); C97(0.83)  LDD0667  [14]
 LDCM0351  AC85 HCT 116 C349(0.22); C97(0.80); C747(0.81); C110(0.88)  LDD0668  [14]
 LDCM0352  AC86 HCT 116 C349(0.19); C97(0.79); C322(0.89); C747(0.93)  LDD0669  [14]
 LDCM0353  AC87 HCT 116 C349(0.18); C747(0.87); C550(0.89); C322(0.92)  LDD0670  [14]
 LDCM0354  AC88 HCT 116 C349(0.19); C97(0.82); C110(0.87); C550(0.88)  LDD0671  [14]
 LDCM0355  AC89 HCT 116 C349(0.18); C747(0.76); C97(0.77); C322(0.79)  LDD0672  [14]
 LDCM0357  AC90 HCT 116 C349(0.19); C110(0.78); C550(0.83); C97(0.84)  LDD0674  [14]
 LDCM0358  AC91 HCT 116 C349(0.17); C747(0.68); C97(0.78); C322(0.78)  LDD0675  [14]
 LDCM0359  AC92 HCT 116 C349(0.20); C747(0.74); C97(0.84); C110(0.84)  LDD0676  [14]
 LDCM0360  AC93 HCT 116 C349(0.21); C97(0.72); C110(0.76); C747(0.91)  LDD0677  [14]
 LDCM0361  AC94 HCT 116 C349(0.28); C145(0.77); C156(0.77); C110(0.89)  LDD0678  [14]
 LDCM0362  AC95 HCT 116 C349(0.19); C322(0.85); C747(0.87); C97(0.87)  LDD0679  [14]
 LDCM0363  AC96 HCT 116 C349(0.22); C322(0.79); C110(0.86); C97(0.87)  LDD0680  [14]
 LDCM0364  AC97 HCT 116 C349(0.17); C97(0.72); C322(0.80); C747(0.80)  LDD0681  [14]
 LDCM0365  AC98 HCT 116 C322(0.64); C97(0.66); C110(0.77); C145(0.83)  LDD0682  [14]
 LDCM0366  AC99 HCT 116 C97(0.78); C322(0.85); C110(0.88); C747(0.94)  LDD0683  [14]
 LDCM0545  Acetamide MDA-MB-231 C747(0.55)  LDD2138  [11]
 LDCM0520  AKOS000195272 MDA-MB-231 C747(1.02)  LDD2113  [11]
 LDCM0248  AKOS034007472 HCT 116 C110(1.04); C322(1.13); C550(1.08); C747(0.82)  LDD0565  [14]
 LDCM0356  AKOS034007680 HCT 116 C747(0.82); C97(0.90); C550(0.98); C322(1.01)  LDD0673  [14]
 LDCM0275  AKOS034007705 HCT 116 C97(0.73); C747(0.77); C322(0.91); C110(1.03)  LDD0592  [14]
 LDCM0020  ARS-1620 HCC44 C322(0.95)  LDD0078  [14]
 LDCM0083  Avasimibe A-549 5.08  LDD0143  [38]
 LDCM0498  BS-3668 MDA-MB-231 C747(0.51)  LDD2091  [11]
 LDCM0108  Chloroacetamide HeLa C470(0.00); C322(0.00); C349(0.00); C747(0.00)  LDD0222  [28]
 LDCM0632  CL-Sc Hep-G2 C349(0.78); C349(0.60)  LDD2227  [22]
 LDCM0367  CL1 HCT 116 C550(0.68); C110(0.93); C322(0.99); C97(1.00)  LDD0684  [14]
 LDCM0368  CL10 HCT 116 C550(0.50); C747(0.64); C97(0.82); C322(0.88)  LDD0685  [14]
 LDCM0369  CL100 HCT 116 C156(0.71); C145(0.73); C550(0.82); C97(0.91)  LDD0686  [14]
 LDCM0370  CL101 HCT 116 C747(0.78); C322(0.84); C97(0.86); C550(1.16)  LDD0687  [14]
 LDCM0371  CL102 HCT 116 C747(0.93); C322(0.95); C97(1.11); C110(1.17)  LDD0688  [14]
 LDCM0372  CL103 HCT 116 C97(0.85); C322(0.86); C747(0.94); C110(1.14)  LDD0689  [14]
 LDCM0373  CL104 HCT 116 C747(0.83); C322(0.88); C97(0.93); C550(1.10)  LDD0690  [14]
 LDCM0374  CL105 HCT 116 C747(0.86); C97(0.90); C110(0.90); C145(0.91)  LDD0691  [14]
 LDCM0375  CL106 HCT 116 C747(0.70); C110(0.80); C97(0.81); C145(0.88)  LDD0692  [14]
 LDCM0376  CL107 HCT 116 C747(0.77); C97(0.78); C110(0.80); C145(0.97)  LDD0693  [14]
 LDCM0377  CL108 HCT 116 C747(0.78); C97(0.79); C110(0.81); C145(0.92)  LDD0694  [14]
 LDCM0378  CL109 HCT 116 C145(0.70); C747(0.83); C97(0.84); C110(0.91)  LDD0695  [14]
 LDCM0379  CL11 HCT 116 C550(0.52); C747(0.72); C97(0.77); C322(1.00)  LDD0696  [14]
 LDCM0380  CL110 HCT 116 C747(0.72); C145(0.79); C97(0.93); C110(1.00)  LDD0697  [14]
 LDCM0381  CL111 HCT 116 C145(0.65); C97(0.79); C747(0.80); C110(0.82)  LDD0698  [14]
 LDCM0382  CL112 HCT 116 C156(0.78); C550(0.84); C97(0.97); C145(1.02)  LDD0699  [14]
 LDCM0383  CL113 HCT 116 C156(0.47); C747(0.68); C550(0.71); C97(0.73)  LDD0700  [14]
 LDCM0384  CL114 HCT 116 C550(0.45); C747(0.68); C156(0.71); C110(0.79)  LDD0701  [14]
 LDCM0385  CL115 HCT 116 C550(0.56); C156(0.56); C747(0.73); C97(0.75)  LDD0702  [14]
 LDCM0386  CL116 HCT 116 C156(0.58); C550(0.60); C110(0.76); C747(0.76)  LDD0703  [14]
 LDCM0387  CL117 HCT 116 C747(0.64); C110(0.73); C97(0.73); C349(0.81)  LDD0704  [14]
 LDCM0388  CL118 HCT 116 C110(0.80); C97(0.80); C145(0.93); C156(0.93)  LDD0705  [14]
 LDCM0389  CL119 HCT 116 C747(0.79); C110(0.80); C97(0.80); C550(0.86)  LDD0706  [14]
 LDCM0390  CL12 HCT 116 C550(0.44); C747(0.75); C97(0.88); C322(1.05)  LDD0707  [14]
 LDCM0391  CL120 HCT 116 C110(0.84); C97(0.84); C349(0.91); C145(0.99)  LDD0708  [14]
 LDCM0392  CL121 HCT 116 C747(0.60); C110(0.63); C322(0.65); C349(0.67)  LDD0709  [14]
 LDCM0393  CL122 HCT 116 C747(0.79); C550(0.79); C349(0.83); C97(0.85)  LDD0710  [14]
 LDCM0394  CL123 HCT 116 C747(0.67); C97(0.69); C550(0.75); C349(0.75)  LDD0711  [14]
 LDCM0395  CL124 HCT 116 C747(0.66); C550(0.69); C97(0.74); C349(0.75)  LDD0712  [14]
 LDCM0396  CL125 HCT 116 C145(0.76); C156(0.76); C747(0.92); C110(1.00)  LDD0713  [14]
 LDCM0397  CL126 HCT 116 C550(0.63); C145(0.72); C156(0.72); C747(0.84)  LDD0714  [14]
 LDCM0398  CL127 HCT 116 C747(0.76); C145(0.77); C156(0.77); C550(0.82)  LDD0715  [14]
 LDCM0399  CL128 HCT 116 C747(0.66); C550(0.82); C97(0.99); C145(1.00)  LDD0716  [14]
 LDCM0400  CL13 HCT 116 C550(0.55); C747(0.83); C322(0.87); C97(1.02)  LDD0717  [14]
 LDCM0401  CL14 HCT 116 C550(0.71); C322(0.88); C747(0.95); C110(0.96)  LDD0718  [14]
 LDCM0402  CL15 HCT 116 C550(0.63); C747(0.81); C322(0.94); C97(1.04)  LDD0719  [14]
 LDCM0403  CL16 HCT 116 C747(0.72); C550(0.82); C322(0.92); C97(0.94)  LDD0720  [14]
 LDCM0404  CL17 HCT 116 C747(0.76); C110(0.86); C97(0.89); C322(0.97)  LDD0721  [14]
 LDCM0405  CL18 HCT 116 C110(0.79); C322(0.80); C97(0.85); C747(0.98)  LDD0722  [14]
 LDCM0406  CL19 HCT 116 C322(0.79); C747(0.92); C110(1.02); C97(1.11)  LDD0723  [14]
 LDCM0407  CL2 HCT 116 C322(0.97); C97(1.02); C110(1.04); C550(1.04)  LDD0724  [14]
 LDCM0408  CL20 HCT 116 C747(0.76); C110(0.87); C322(0.97); C97(0.98)  LDD0725  [14]
 LDCM0409  CL21 HCT 116 C110(0.78); C322(0.81); C97(0.89); C747(0.91)  LDD0726  [14]
 LDCM0410  CL22 HCT 116 C747(0.79); C322(0.87); C110(0.96); C550(1.06)  LDD0727  [14]
 LDCM0411  CL23 HCT 116 C747(0.64); C110(0.75); C550(0.80); C97(0.83)  LDD0728  [14]
 LDCM0412  CL24 HCT 116 C747(0.79); C322(0.80); C550(0.81); C110(0.85)  LDD0729  [14]
 LDCM0413  CL25 HCT 116 C110(0.85); C322(0.89); C550(0.92); C747(0.91)  LDD0730  [14]
 LDCM0414  CL26 HCT 116 C110(0.89); C322(0.90); C550(1.14); C747(0.78)  LDD0731  [14]
 LDCM0415  CL27 HCT 116 C110(0.94); C322(0.90); C550(0.81); C747(0.77)  LDD0732  [14]
 LDCM0416  CL28 HCT 116 C110(0.88); C322(0.83); C550(0.93); C747(0.72)  LDD0733  [14]
 LDCM0417  CL29 HCT 116 C110(0.86); C322(1.07); C550(0.79); C747(0.81)  LDD0734  [14]
 LDCM0418  CL3 HCT 116 C110(1.00); C322(1.04); C550(0.82); C747(1.10)  LDD0735  [14]
 LDCM0419  CL30 HCT 116 C110(0.96); C322(0.92); C550(1.06); C747(0.99)  LDD0736  [14]
 LDCM0420  CL31 HCT 116 C145(1.17); C156(1.17); C110(0.94); C322(0.93)  LDD0737  [14]
 LDCM0421  CL32 HCT 116 C145(1.25); C156(1.25); C110(0.84); C322(0.86)  LDD0738  [14]
 LDCM0422  CL33 HCT 116 C145(0.80); C156(0.80); C110(0.79); C322(0.94)  LDD0739  [14]
 LDCM0423  CL34 HCT 116 C145(0.48); C156(0.48); C110(0.66); C322(0.87)  LDD0740  [14]
 LDCM0424  CL35 HCT 116 C145(0.97); C156(0.97); C110(0.79); C322(0.94)  LDD0741  [14]
 LDCM0425  CL36 HCT 116 C145(0.64); C156(0.64); C110(0.92); C322(0.99)  LDD0742  [14]
 LDCM0426  CL37 HCT 116 C145(0.56); C156(0.56); C110(0.81); C322(0.85)  LDD0743  [14]
 LDCM0428  CL39 HCT 116 C145(0.67); C156(0.67); C110(0.75); C322(0.85)  LDD0745  [14]
 LDCM0429  CL4 HCT 116 C110(0.99); C322(0.82); C550(0.74); C747(0.91)  LDD0746  [14]
 LDCM0430  CL40 HCT 116 C145(0.66); C156(0.66); C110(0.89); C322(0.91)  LDD0747  [14]
 LDCM0431  CL41 HCT 116 C145(0.73); C156(0.73); C110(0.83); C322(0.80)  LDD0748  [14]
 LDCM0432  CL42 HCT 116 C145(0.95); C156(0.95); C110(0.77); C322(0.92)  LDD0749  [14]
 LDCM0433  CL43 HCT 116 C145(0.64); C156(0.64); C110(0.81); C322(0.90)  LDD0750  [14]
 LDCM0434  CL44 HCT 116 C145(0.73); C156(0.73); C110(0.75); C322(0.76)  LDD0751  [14]
 LDCM0435  CL45 HCT 116 C145(0.54); C156(0.54); C110(0.78); C322(0.87)  LDD0752  [14]
 LDCM0436  CL46 HCT 116 C145(1.47); C156(1.47); C110(0.94); C322(1.17)  LDD0753  [14]
 LDCM0437  CL47 HCT 116 C145(1.15); C156(1.15); C110(0.96); C322(1.08)  LDD0754  [14]
 LDCM0438  CL48 HCT 116 C145(1.04); C156(1.04); C110(0.92); C322(1.17)  LDD0755  [14]
 LDCM0439  CL49 HCT 116 C145(1.81); C156(1.81); C110(0.97); C322(1.06)  LDD0756  [14]
 LDCM0440  CL5 HCT 116 C110(0.95); C322(1.05); C550(0.75); C747(0.97)  LDD0757  [14]
 LDCM0441  CL50 HCT 116 C145(1.43); C156(1.43); C110(0.87); C322(1.21)  LDD0758  [14]
 LDCM0442  CL51 HCT 116 C145(0.89); C156(0.89); C110(0.91); C322(1.21)  LDD0759  [14]
 LDCM0443  CL52 HCT 116 C145(2.24); C156(2.24); C110(0.94); C322(1.26)  LDD0760  [14]
 LDCM0444  CL53 HCT 116 C145(5.12); C156(5.12); C110(1.01); C322(1.09)  LDD0761  [14]
 LDCM0445  CL54 HCT 116 C145(0.76); C156(0.76); C110(0.90); C322(1.10)  LDD0762  [14]
 LDCM0446  CL55 HCT 116 C145(2.14); C156(2.14); C110(0.97); C322(1.19)  LDD0763  [14]
 LDCM0447  CL56 HCT 116 C145(0.72); C156(0.72); C110(0.93); C322(0.99)  LDD0764  [14]
 LDCM0448  CL57 HCT 116 C145(0.92); C156(0.92); C110(1.01); C322(0.80)  LDD0765  [14]
 LDCM0449  CL58 HCT 116 C145(2.59); C156(2.59); C110(0.86); C322(1.09)  LDD0766  [14]
 LDCM0450  CL59 HCT 116 C145(1.07); C156(1.07); C110(0.99); C322(1.12)  LDD0767  [14]
 LDCM0451  CL6 HCT 116 C110(1.04); C322(0.89); C550(0.50); C747(0.72)  LDD0768  [14]
 LDCM0452  CL60 HCT 116 C145(1.08); C156(1.08); C110(1.00); C322(0.99)  LDD0769  [14]
 LDCM0453  CL61 HCT 116 C110(0.88); C322(1.45); C349(0.97); C550(0.92)  LDD0770  [14]
 LDCM0454  CL62 HCT 116 C110(0.64); C322(1.18); C349(1.01); C550(0.87)  LDD0771  [14]
 LDCM0455  CL63 HCT 116 C110(0.51); C322(1.22); C349(1.00); C550(0.97)  LDD0772  [14]
 LDCM0456  CL64 HCT 116 C110(0.52); C322(1.17); C349(1.01); C550(0.73)  LDD0773  [14]
 LDCM0457  CL65 HCT 116 C110(0.58); C322(1.18); C349(1.25); C550(1.23)  LDD0774  [14]
 LDCM0458  CL66 HCT 116 C110(0.52); C322(1.12); C349(0.99); C550(0.73)  LDD0775  [14]
 LDCM0459  CL67 HCT 116 C110(0.51); C322(1.17); C349(1.12); C550(0.92)  LDD0776  [14]
 LDCM0460  CL68 HCT 116 C110(0.47); C322(1.32); C349(0.94); C550(1.09)  LDD0777  [14]
 LDCM0461  CL69 HCT 116 C110(0.50); C322(1.04); C349(0.98); C550(0.63)  LDD0778  [14]
 LDCM0462  CL7 HCT 116 C110(1.07); C322(1.00); C550(0.44); C747(0.87)  LDD0779  [14]
 LDCM0463  CL70 HCT 116 C110(0.60); C322(1.35); C349(0.93); C550(0.80)  LDD0780  [14]
 LDCM0464  CL71 HCT 116 C110(0.58); C322(1.22); C349(1.07); C550(0.91)  LDD0781  [14]
 LDCM0465  CL72 HCT 116 C110(0.82); C322(1.14); C349(0.92); C550(0.97)  LDD0782  [14]
 LDCM0466  CL73 HCT 116 C110(0.51); C322(1.13); C349(0.97); C550(0.87)  LDD0783  [14]
 LDCM0467  CL74 HCT 116 C110(0.47); C322(1.17); C349(1.23); C550(1.01)  LDD0784  [14]
 LDCM0469  CL76 HCT 116 C145(0.67); C156(0.67); C110(1.33); C322(1.09)  LDD0786  [14]
 LDCM0470  CL77 HCT 116 C145(0.85); C156(0.85); C110(1.10); C322(1.09)  LDD0787  [14]
 LDCM0471  CL78 HCT 116 C145(0.71); C156(0.71); C110(0.99); C322(1.04)  LDD0788  [14]
 LDCM0472  CL79 HCT 116 C145(0.62); C156(0.62); C110(1.18); C322(1.04)  LDD0789  [14]
 LDCM0473  CL8 HCT 116 C110(1.00); C322(0.79); C550(0.62); C747(0.56)  LDD0790  [14]
 LDCM0474  CL80 HCT 116 C145(0.64); C156(0.64); C110(1.05); C322(1.11)  LDD0791  [14]
 LDCM0475  CL81 HCT 116 C145(0.73); C156(0.73); C110(1.34); C322(1.13)  LDD0792  [14]
 LDCM0476  CL82 HCT 116 C145(0.52); C156(0.52); C110(1.48); C322(1.19)  LDD0793  [14]
 LDCM0477  CL83 HCT 116 C145(0.50); C156(0.50); C110(1.45); C322(1.06)  LDD0794  [14]
 LDCM0478  CL84 HCT 116 C145(0.46); C156(0.46); C110(1.10); C322(1.07)  LDD0795  [14]
 LDCM0479  CL85 HCT 116 C145(0.54); C156(0.54); C110(1.22); C322(1.02)  LDD0796  [14]
 LDCM0480  CL86 HCT 116 C145(0.79); C156(0.79); C110(1.01); C322(1.05)  LDD0797  [14]
 LDCM0481  CL87 HCT 116 C145(0.57); C156(0.57); C110(1.47); C322(1.06)  LDD0798  [14]
 LDCM0482  CL88 HCT 116 C145(0.44); C156(0.44); C110(1.91); C322(1.14)  LDD0799  [14]
 LDCM0483  CL89 HCT 116 C145(0.59); C156(0.59); C110(1.17); C322(1.06)  LDD0800  [14]
 LDCM0484  CL9 HCT 116 C110(0.97); C322(1.00); C550(0.55); C747(0.87)  LDD0801  [14]
 LDCM0485  CL90 HCT 116 C145(0.71); C156(0.71); C110(0.97); C322(0.84)  LDD0802  [14]
 LDCM0486  CL91 HCT 116 C145(0.77); C156(0.72); C110(1.06); C322(0.95)  LDD0803  [14]
 LDCM0487  CL92 HCT 116 C145(0.80); C156(0.61); C110(1.05); C322(0.99)  LDD0804  [14]
 LDCM0488  CL93 HCT 116 C145(0.75); C156(0.61); C110(1.00); C322(1.15)  LDD0805  [14]
 LDCM0489  CL94 HCT 116 C145(0.88); C156(0.54); C110(1.01); C322(0.95)  LDD0806  [14]
 LDCM0490  CL95 HCT 116 C145(0.80); C156(0.58); C110(1.03); C322(1.04)  LDD0807  [14]
 LDCM0491  CL96 HCT 116 C145(0.77); C156(0.60); C110(1.03); C322(1.03)  LDD0808  [14]
 LDCM0492  CL97 HCT 116 C145(0.71); C156(0.71); C110(1.05); C322(1.04)  LDD0809  [14]
 LDCM0493  CL98 HCT 116 C145(0.56); C156(0.56); C110(1.00); C322(1.01)  LDD0810  [14]
 LDCM0494  CL99 HCT 116 C145(0.67); C156(0.66); C110(1.10); C322(1.13)  LDD0811  [14]
 LDCM0189  Compound 16 HEK-293T 11.77  LDD0492  [35]
 LDCM0185  Compound 17 HEK-293T 8.88  LDD0504  [35]
 LDCM0184  Compound 20 HEK-293T 12.14  LDD0503  [35]
 LDCM0191  Compound 21 HEK-293T 6.75  LDD0493  [35]
 LDCM0186  Compound 31 HEK-293T 7.92  LDD0506  [35]
 LDCM0187  Compound 32 HEK-293T 17.21  LDD0507  [35]
 LDCM0188  Compound 33 HEK-293T 5.21  LDD0505  [35]
 LDCM0190  Compound 34 HEK-293T 8.50  LDD0497  [35]
 LDCM0192  Compound 35 HEK-293T 9.37  LDD0491  [35]
 LDCM0193  Compound 36 HEK-293T 6.21  LDD0494  [35]
 LDCM0194  Compound 37 HEK-293T 7.97  LDD0498  [35]
 LDCM0195  Compound 38 HEK-293T 11.77  LDD0499  [35]
 LDCM0196  Compound 39 HEK-293T 5.38  LDD0496  [35]
 LDCM0197  Compound 40 HEK-293T 7.08  LDD0495  [35]
 LDCM0495  E2913 HEK-293T C349(0.96); C747(1.12); C550(0.84); C470(0.97)  LDD1698  [43]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C747(4.58); C322(1.74)  LDD1702  [11]
 LDCM0625  F8 Ramos C550(1.33); C322(1.54); C349(1.65)  LDD2187  [44]
 LDCM0082  FK866 A-549 2.44  LDD0142  [38]
 LDCM0572  Fragment10 Ramos C550(0.79); C322(0.83); C747(0.96)  LDD2189  [44]
 LDCM0573  Fragment11 Ramos C550(0.04); C322(0.71); C349(0.64); C747(1.19)  LDD2190  [44]
 LDCM0574  Fragment12 Ramos C550(1.18); C322(0.72); C349(0.28); C747(0.37)  LDD2191  [44]
 LDCM0575  Fragment13 Ramos C550(1.47); C322(1.29); C747(0.85)  LDD2192  [44]
 LDCM0576  Fragment14 Ramos C550(1.10); C322(0.82); C349(1.12); C747(0.94)  LDD2193  [44]
 LDCM0579  Fragment20 Ramos C550(1.39); C322(0.74); C349(0.37); C747(0.55)  LDD2194  [44]
 LDCM0580  Fragment21 Ramos C550(0.72); C322(1.17); C349(0.50); C747(1.00)  LDD2195  [44]
 LDCM0582  Fragment23 Ramos C550(1.12); C322(0.95); C349(0.38); C747(0.78)  LDD2196  [44]
 LDCM0578  Fragment27 Ramos C550(0.77); C322(1.11); C349(0.49)  LDD2197  [44]
 LDCM0586  Fragment28 Ramos C550(0.81); C322(0.51); C349(0.94); C747(0.80)  LDD2198  [44]
 LDCM0588  Fragment30 Ramos C550(1.27); C322(1.29); C349(0.44); C747(1.18)  LDD2199  [44]
 LDCM0589  Fragment31 Ramos C550(1.57); C322(1.07); C747(0.78)  LDD2200  [44]
 LDCM0590  Fragment32 Ramos C550(0.65); C322(0.65); C349(0.33); C747(1.35)  LDD2201  [44]
 LDCM0468  Fragment33 HCT 116 C110(0.53); C322(1.63); C349(0.98); C550(0.82)  LDD0785  [14]
 LDCM0596  Fragment38 Ramos C550(0.99); C322(1.07); C349(0.39); C747(0.75)  LDD2203  [44]
 LDCM0566  Fragment4 Ramos C550(1.13); C322(1.03); C349(1.08)  LDD2184  [44]
 LDCM0427  Fragment51 HCT 116 C145(0.68); C156(0.68); C110(0.77); C322(0.76)  LDD0744  [14]
 LDCM0610  Fragment52 Ramos C550(1.52); C322(1.00); C349(0.18); C747(1.67)  LDD2204  [44]
 LDCM0614  Fragment56 Ramos C550(1.17); C322(1.31); C349(0.25); C747(1.05)  LDD2205  [44]
 LDCM0569  Fragment7 Ramos C550(0.80); C322(0.76); C349(1.10); C747(0.98)  LDD2186  [44]
 LDCM0571  Fragment9 Ramos C550(0.66); C322(0.97); C349(0.37); C747(0.93)  LDD2188  [44]
 LDCM0116  HHS-0101 DM93 Y343(0.82)  LDD0264  [13]
 LDCM0117  HHS-0201 DM93 Y343(2.24)  LDD0265  [13]
 LDCM0118  HHS-0301 DM93 Y343(1.18)  LDD0266  [13]
 LDCM0119  HHS-0401 DM93 Y343(1.20)  LDD0267  [13]
 LDCM0120  HHS-0701 DM93 Y343(11.18)  LDD0268  [13]
 LDCM0107  IAA HeLa H598(0.00); C747(0.00); H69(0.00); C322(0.00)  LDD0221  [28]
 LDCM0078  kambe_cp70 PC-3 2.72  LDD0134  [39]
 LDCM0022  KB02 HCT 116 C110(2.32); C322(1.49)  LDD0080  [14]
 LDCM0023  KB03 HCT 116 C110(6.92); C322(1.61)  LDD0081  [14]
 LDCM0024  KB05 HCT 116 C110(5.23); C322(1.58)  LDD0082  [14]
 LDCM0115  Minimalist HEK-293T 2.04  LDD0256  [40]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C747(0.63)  LDD2102  [11]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C747(0.95)  LDD2121  [11]
 LDCM0109  NEM HeLa H69(0.00); H40(0.00); H598(0.00); H344(0.00)  LDD0223  [28]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C747(0.70)  LDD2089  [11]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C747(1.40)  LDD2090  [11]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C747(0.90)  LDD2092  [11]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C747(1.47)  LDD2093  [11]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C747(1.07)  LDD2094  [11]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C747(0.36)  LDD2096  [11]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C747(0.76)  LDD2097  [11]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C747(0.78)  LDD2098  [11]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C747(0.95)  LDD2099  [11]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C747(0.56)  LDD2100  [11]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C747(1.14)  LDD2101  [11]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C747(0.58)  LDD2104  [11]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C747(1.07)  LDD2105  [11]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C747(0.29)  LDD2106  [11]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C322(0.79); C747(1.08); C349(0.89)  LDD2107  [11]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C747(0.73)  LDD2108  [11]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C747(0.98)  LDD2109  [11]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C747(0.73)  LDD2110  [11]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C747(1.21)  LDD2111  [11]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C322(0.85); C747(0.72); C470(0.84)  LDD2114  [11]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C747(0.82)  LDD2115  [11]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C747(1.98); C349(1.39)  LDD2119  [11]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C747(0.87)  LDD2120  [11]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C747(1.27)  LDD2123  [11]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C747(1.09)  LDD2125  [11]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C747(0.97)  LDD2127  [11]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C747(1.30)  LDD2128  [11]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C747(1.11)  LDD2129  [11]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C747(0.79)  LDD2133  [11]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C747(0.73)  LDD2134  [11]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C747(1.26)  LDD2135  [11]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C747(1.10)  LDD2136  [11]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C747(1.13)  LDD2137  [11]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C747(0.89)  LDD2140  [11]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C747(0.44)  LDD2141  [11]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C747(1.01)  LDD2143  [11]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C322(1.93)  LDD2144  [11]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C747(1.07)  LDD2146  [11]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C747(2.37)  LDD2147  [11]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C747(0.97)  LDD2148  [11]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C322(0.53); C747(0.35); C470(1.15)  LDD2150  [11]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C747(1.43)  LDD2153  [11]
 LDCM0628  OTUB2-COV-1 HEK-293T C550(1.17)  LDD2207  [45]
 LDCM0131  RA190 MM1.R C322(1.63)  LDD0304  [46]
 LDCM0137  SR-4995 HEK-293T 3.94  LDD0332  [42]
 LDCM0021  THZ1 HeLa S3 C713(1.01)  LDD0460  [10]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Trifunctional enzyme subunit beta, mitochondrial (HADHB) Thiolase family P55084
Transporter and channel
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Gamma-aminobutyric acid receptor-associated protein (GABARAP) ATG8 family O95166
Huntingtin (HTT) Huntingtin family P42858
Other
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Gamma-aminobutyric acid receptor-associated protein-like 1 (GABARAPL1) ATG8 family Q9H0R8
Gamma-aminobutyric acid receptor-associated protein-like 2 (GABARAPL2) ATG8 family P60520
Microtubule-associated proteins 1A/1B light chain 3B (MAP1LC3B) ATG8 family Q9GZQ8

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
Nadh Small molecular drug DB00157

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 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
4 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.
5 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.
6 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.
7 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
8 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.
9 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.
10 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.
11 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
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Mass spectrometry data entry: PXD044625
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Mass spectrometry data entry: PXD042377
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Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
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Mass spectrometry data entry: PXD041264
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Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
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Mass spectrometry data entry: PXD022279
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27 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.
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Mass spectrometry data entry: PXD038010
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45 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.
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