Details of the Target

General Information of Target

Target ID LDTP01783
Target Name Aspartate aminotransferase, mitochondrial (GOT2)
Gene Name GOT2
Gene ID 2806
Synonyms
KYAT4; Aspartate aminotransferase, mitochondrial; mAspAT; EC 2.6.1.1; EC 2.6.1.7; Fatty acid-binding protein; FABP-1; Glutamate oxaloacetate transaminase 2; Kynurenine aminotransferase 4; Kynurenine aminotransferase IV; Kynurenine--oxoglutarate transaminase 4; Kynurenine--oxoglutarate transaminase IV; Plasma membrane-associated fatty acid-binding protein; FABPpm; Transaminase A
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MALLHSGRVLPGIAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKM
NLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENSEV
LKSGRFVTVQTISGTGALRIGASFLQRFFKFSRDVFLPKPTWGNHTPIFRDAGMQLQGYR
YYDPKTCGFDFTGAVEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIATVVKKRNLFA
FFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTMVCKDADE
AKRVESQLKILIRPMYSNPPLNGARIAAAILNTPDLRKQWLQEVKVMADRIIGMRTQLVS
NLKKEGSTHNWQHITDQIGMFCFTGLKPEQVERLIKEFSIYMTKDGRISVAGVTSSNVGY
LAHAIHQVTK
Target Bioclass
Enzyme
Family
Class-I pyridoxal-phosphate-dependent aminotransferase family
Subcellular location
Mitochondrion matrix
Function
Catalyzes the irreversible transamination of the L-tryptophan metabolite L-kynurenine to form kynurenic acid (KA). As a member of the malate-aspartate shuttle, it has a key role in the intracellular NAD(H) redox balance. Is important for metabolite exchange between mitochondria and cytosol, and for amino acid metabolism. Facilitates cellular uptake of long-chain free fatty acids.
Uniprot ID
P00505
Ensemble ID
ENST00000245206.10
HGNC ID
HGNC:4433
ChEMBL ID
CHEMBL4524033

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
CAL148 SNV: p.R28T DBIA    Probe Info 
HT SNV: p.M402T; p.Y420C DBIA    Probe Info 
IGROV1 SNV: p.N91K DBIA    Probe Info 
NCIH661 SNV: p.E95Ter .
NUGC3 SNV: p.Q390H DBIA    Probe Info 
WM1552C SNV: p.E228G DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 38 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
A-EBA
 Probe Info  		4.97  LDD0215  [1]
N1
 Probe Info  		100.00  LDD0242  [2]
C-Sul
 Probe Info  		2.84  LDD0066  [3]
TH211
 Probe Info  		Y179(20.00); Y284(20.00); Y316(14.91); Y420(13.96)  LDD0257  [4]
TH216
 Probe Info  		Y179(20.00); Y401(20.00); Y67(20.00); Y96(20.00)  LDD0259  [4]
YN-4
 Probe Info  		100.00  LDD0445  [5]
OPA-S-S-alkyne
 Probe Info  		K73(3.72)  LDD3494  [6]
AF-1
 Probe Info  		2.74  LDD0421  [7]
m-APA
 Probe Info  		9.96  LDD0403  [8]
BTD
 Probe Info  		C295(2.29)  LDD1700  [9]
AHL-Pu-1
 Probe Info  		C106(2.31)  LDD0170  [10]
DBIA
 Probe Info  		C272(0.98); C274(0.98); C295(0.91)  LDD0078  [11]
5E-2FA
 Probe Info  		H369(0.00); H423(0.00)  LDD2235  [12]
ATP probe
 Probe Info  		K387(0.00); K296(0.00); K122(0.00); K185(0.00)  LDD0199  [13]
4-Iodoacetamidophenylacetylene
 Probe Info  		C382(0.00); C106(0.00); C187(0.00); C295(0.00)  LDD0038  [14]
IA-alkyne
 Probe Info  		C295(0.00); C106(0.00)  LDD0032  [15]
IPIAA_H
 Probe Info  		C187(0.00); C382(0.00)  LDD0030  [16]
IPIAA_L
 Probe Info  		C187(0.00); C106(0.00); C382(0.00)  LDD0031  [16]
Lodoacetamide azide
 Probe Info  		C382(0.00); C106(0.00); C212(0.00); C187(0.00)  LDD0037  [14]
IPM
 Probe Info  		N.A.  LDD0025  [17]
JW-RF-010
 Probe Info  		C187(0.00); C106(0.00)  LDD0026  [17]
NAIA_4
 Probe Info  		C106(0.00); C187(0.00); C295(0.00)  LDD2226  [18]
TFBX
 Probe Info  		N.A.  LDD0027  [17]
WYneN
 Probe Info  		N.A.  LDD0021  [19]
NHS
 Probe Info  		K90(0.00); K363(0.00); K73(0.00); K159(0.00)  LDD0010  [19]
OSF
 Probe Info  		N.A.  LDD0029  [20]
SF
 Probe Info  		K363(0.00); K82(0.00); K150(0.00); K234(0.00)  LDD0028  [20]
STPyne
 Probe Info  		N.A.  LDD0009  [19]
Ox-W18
 Probe Info  		N.A.  LDD2175  [21]
1c-yne
 Probe Info  		K73(0.00); K159(0.00); K185(0.00); K387(0.00)  LDD0228  [22]
Acrolein
 Probe Info  		C106(0.00); C187(0.00); H423(0.00); C295(0.00)  LDD0217  [23]
Crotonaldehyde
 Probe Info  		C295(0.00); H165(0.00); C187(0.00); C106(0.00)  LDD0219  [23]
Methacrolein
 Probe Info  		N.A.  LDD0218  [23]
AOyne
 Probe Info  		4.40  LDD0443  [24]
MPP-AC
 Probe Info  		N.A.  LDD0428  [25]
NAIA_5
 Probe Info  		C382(0.00); C106(0.00); C274(0.00); C272(0.00)  LDD2223  [18]
TER-AC
 Probe Info  		N.A.  LDD0426  [25]
HHS-465
 Probe Info  		K309(0.00); K82(0.00); Y316(0.00); K363(0.00)  LDD2240  [26]
PAL-AfBPP Probe
Click To Hide/Show 5 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe13
 Probe Info  		5.81  LDD0475  [27]
JN0003
 Probe Info  		5.49  LDD0469  [27]
VE-P
 Probe Info  		N.A.  LDD0396  [28]
DA-2
 Probe Info  		N.A.  LDD0070  [29]
STS-1
 Probe Info  		N.A.  LDD0068  [30]

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 C187(0.82); C212(0.66)  LDD2142  [9]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C295(1.05); C187(0.92)  LDD2112  [9]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C295(0.41)  LDD2095  [9]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C295(0.95)  LDD2130  [9]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C295(0.87)  LDD2117  [9]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C295(1.21)  LDD2152  [9]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C295(0.36)  LDD2132  [9]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C295(0.93)  LDD2131  [9]
 LDCM0025  4SU-RNA DM93 C106(2.31)  LDD0170  [10]
 LDCM0214  AC1 HCT 116 C106(1.44); C187(1.07); C272(1.46); C274(1.46)  LDD0531  [11]
 LDCM0215  AC10 HCT 116 C272(0.77); C274(0.77); C295(0.92)  LDD0532  [11]
 LDCM0216  AC100 HCT 116 C272(0.71); C274(0.71)  LDD0533  [11]
 LDCM0217  AC101 HCT 116 C272(0.68); C274(0.68)  LDD0534  [11]
 LDCM0218  AC102 HCT 116 C272(0.78); C274(0.78)  LDD0535  [11]
 LDCM0219  AC103 HCT 116 C272(0.73); C274(0.73)  LDD0536  [11]
 LDCM0220  AC104 HCT 116 C272(0.85); C274(0.85)  LDD0537  [11]
 LDCM0221  AC105 HCT 116 C272(0.65); C274(0.65)  LDD0538  [11]
 LDCM0222  AC106 HCT 116 C272(0.83); C274(0.83)  LDD0539  [11]
 LDCM0223  AC107 HCT 116 C272(0.84); C274(0.84)  LDD0540  [11]
 LDCM0224  AC108 HCT 116 C272(0.50); C274(0.50)  LDD0541  [11]
 LDCM0225  AC109 HCT 116 C272(0.65); C274(0.65)  LDD0542  [11]
 LDCM0226  AC11 HCT 116 C272(0.82); C274(0.82); C295(0.75)  LDD0543  [11]
 LDCM0227  AC110 HCT 116 C272(0.67); C274(0.67)  LDD0544  [11]
 LDCM0228  AC111 HCT 116 C272(0.59); C274(0.59)  LDD0545  [11]
 LDCM0229  AC112 HCT 116 C272(0.80); C274(0.80)  LDD0546  [11]
 LDCM0230  AC113 HCT 116 C272(1.06); C274(1.06); C295(1.34)  LDD0547  [11]
 LDCM0231  AC114 HCT 116 C272(1.21); C274(1.21); C295(1.53)  LDD0548  [11]
 LDCM0232  AC115 HCT 116 C272(1.08); C274(1.08); C295(1.42)  LDD0549  [11]
 LDCM0233  AC116 HCT 116 C272(1.10); C274(1.10); C295(1.33)  LDD0550  [11]
 LDCM0234  AC117 HCT 116 C272(0.95); C274(0.95); C295(1.43)  LDD0551  [11]
 LDCM0235  AC118 HCT 116 C272(1.10); C274(1.10); C295(1.60)  LDD0552  [11]
 LDCM0236  AC119 HCT 116 C272(0.89); C274(0.89); C295(1.36)  LDD0553  [11]
 LDCM0237  AC12 HCT 116 C272(0.78); C274(0.78); C295(0.81)  LDD0554  [11]
 LDCM0238  AC120 HCT 116 C272(1.06); C274(1.06); C295(1.53)  LDD0555  [11]
 LDCM0239  AC121 HCT 116 C272(1.12); C274(1.12); C295(1.21)  LDD0556  [11]
 LDCM0240  AC122 HCT 116 C272(1.30); C274(1.30); C295(1.48)  LDD0557  [11]
 LDCM0241  AC123 HCT 116 C272(1.46); C274(1.46); C295(1.35)  LDD0558  [11]
 LDCM0242  AC124 HCT 116 C272(1.27); C274(1.27); C295(1.24)  LDD0559  [11]
 LDCM0243  AC125 HCT 116 C272(0.93); C274(0.93); C295(1.43)  LDD0560  [11]
 LDCM0244  AC126 HCT 116 C272(1.13); C274(1.13); C295(1.24)  LDD0561  [11]
 LDCM0245  AC127 HCT 116 C272(1.08); C274(1.08); C295(1.34)  LDD0562  [11]
 LDCM0246  AC128 HCT 116 C106(1.33); C272(1.45); C274(1.45)  LDD0563  [11]
 LDCM0247  AC129 HCT 116 C106(1.02); C272(0.90); C274(0.90)  LDD0564  [11]
 LDCM0249  AC130 HCT 116 C106(1.28); C272(1.02); C274(1.02)  LDD0566  [11]
 LDCM0250  AC131 HCT 116 C106(0.82); C272(0.78); C274(0.78)  LDD0567  [11]
 LDCM0251  AC132 HCT 116 C106(1.03); C272(0.81); C274(0.81)  LDD0568  [11]
 LDCM0252  AC133 HCT 116 C106(1.14); C272(1.00); C274(1.00)  LDD0569  [11]
 LDCM0253  AC134 HCT 116 C106(1.10); C272(0.80); C274(0.80)  LDD0570  [11]
 LDCM0254  AC135 HCT 116 C106(0.99); C272(0.87); C274(0.87)  LDD0571  [11]
 LDCM0255  AC136 HCT 116 C106(0.96); C272(0.85); C274(0.85)  LDD0572  [11]
 LDCM0256  AC137 HCT 116 C106(1.07); C272(1.00); C274(1.00)  LDD0573  [11]
 LDCM0257  AC138 HCT 116 C106(1.11); C272(0.90); C274(0.90)  LDD0574  [11]
 LDCM0258  AC139 HCT 116 C106(1.06); C272(0.81); C274(0.81)  LDD0575  [11]
 LDCM0259  AC14 HCT 116 C272(0.90); C274(0.90); C295(0.94)  LDD0576  [11]
 LDCM0260  AC140 HCT 116 C106(1.00); C272(1.01); C274(1.01)  LDD0577  [11]
 LDCM0261  AC141 HCT 116 C106(1.09); C272(0.79); C274(0.79)  LDD0578  [11]
 LDCM0262  AC142 HCT 116 C106(0.90); C272(0.91); C274(0.91)  LDD0579  [11]
 LDCM0263  AC143 HCT 116 C106(0.84); C272(1.24); C274(1.24)  LDD0580  [11]
 LDCM0264  AC144 HCT 116 C106(1.09); C272(2.00); C274(2.00)  LDD0581  [11]
 LDCM0265  AC145 HCT 116 C106(0.96); C272(1.04); C274(1.04)  LDD0582  [11]
 LDCM0266  AC146 HCT 116 C272(1.04); C274(1.04); C106(1.08)  LDD0583  [11]
 LDCM0267  AC147 HCT 116 C106(1.13); C272(1.34); C274(1.34)  LDD0584  [11]
 LDCM0268  AC148 HCT 116 C106(1.11); C272(1.48); C274(1.48)  LDD0585  [11]
 LDCM0269  AC149 HCT 116 C106(1.23); C272(1.42); C274(1.42)  LDD0586  [11]
 LDCM0270  AC15 HCT 116 C272(0.82); C274(0.82); C295(0.99)  LDD0587  [11]
 LDCM0271  AC150 HCT 116 C272(0.95); C274(0.95); C106(1.12)  LDD0588  [11]
 LDCM0272  AC151 HCT 116 C106(0.89); C272(0.98); C274(0.98)  LDD0589  [11]
 LDCM0273  AC152 HCT 116 C106(0.94); C272(1.90); C274(1.90)  LDD0590  [11]
 LDCM0274  AC153 HCT 116 C106(1.16); C272(1.48); C274(1.48)  LDD0591  [11]
 LDCM0621  AC154 HCT 116 C106(1.12); C272(1.18); C274(1.18)  LDD2158  [11]
 LDCM0622  AC155 HCT 116 C106(1.11); C272(1.38); C274(1.38)  LDD2159  [11]
 LDCM0623  AC156 HCT 116 C106(1.12); C272(1.35); C274(1.35)  LDD2160  [11]
 LDCM0624  AC157 HCT 116 C106(0.98); C272(1.15); C274(1.15)  LDD2161  [11]
 LDCM0276  AC17 HCT 116 C187(0.97); C295(1.13)  LDD0593  [11]
 LDCM0277  AC18 HCT 116 C295(1.13); C187(1.13)  LDD0594  [11]
 LDCM0278  AC19 HCT 116 C295(1.15); C187(1.16)  LDD0595  [11]
 LDCM0279  AC2 HCT 116 C295(1.04); C187(1.08); C106(1.39); C272(1.42)  LDD0596  [11]
 LDCM0280  AC20 HCT 116 C187(1.14); C295(1.22)  LDD0597  [11]
 LDCM0281  AC21 HCT 116 C187(1.06); C295(1.22)  LDD0598  [11]
 LDCM0282  AC22 HCT 116 C187(0.90); C295(1.21)  LDD0599  [11]
 LDCM0283  AC23 HCT 116 C187(0.93); C295(0.96)  LDD0600  [11]
 LDCM0284  AC24 HCT 116 C187(1.10); C295(1.42)  LDD0601  [11]
 LDCM0285  AC25 HCT 116 C272(0.97); C274(0.97); C187(1.07); C295(1.10)  LDD0602  [11]
 LDCM0286  AC26 HCT 116 C272(0.87); C274(0.87); C187(1.08); C295(1.19)  LDD0603  [11]
 LDCM0287  AC27 HCT 116 C272(1.00); C274(1.00); C295(1.15); C187(1.21)  LDD0604  [11]
 LDCM0288  AC28 HCT 116 C272(1.05); C274(1.05); C187(1.06); C295(1.18)  LDD0605  [11]
 LDCM0289  AC29 HCT 116 C272(0.83); C274(0.83); C187(1.07); C295(1.28)  LDD0606  [11]
 LDCM0290  AC3 HCT 116 C295(1.09); C106(1.15); C272(1.19); C274(1.19)  LDD0607  [11]
 LDCM0291  AC30 HCT 116 C272(0.88); C274(0.88); C187(0.99); C295(1.42)  LDD0608  [11]
 LDCM0292  AC31 HCT 116 C272(0.94); C274(0.94); C187(1.04); C295(1.28)  LDD0609  [11]
 LDCM0293  AC32 HCT 116 C272(0.99); C274(0.99); C187(1.22); C295(1.46)  LDD0610  [11]
 LDCM0294  AC33 HCT 116 C272(1.03); C274(1.03); C187(1.15); C295(1.22)  LDD0611  [11]
 LDCM0295  AC34 HCT 116 C295(0.77); C272(0.95); C274(0.95); C187(1.06)  LDD0612  [11]
 LDCM0296  AC35 HCT 116 C272(1.17); C274(1.17)  LDD0613  [11]
 LDCM0297  AC36 HCT 116 C272(1.02); C274(1.02)  LDD0614  [11]
 LDCM0298  AC37 HCT 116 C272(1.24); C274(1.24)  LDD0615  [11]
 LDCM0299  AC38 HCT 116 C272(0.99); C274(0.99)  LDD0616  [11]
 LDCM0300  AC39 HCT 116 C272(0.92); C274(0.92)  LDD0617  [11]
 LDCM0301  AC4 HCT 116 C295(1.04); C187(1.18); C272(1.37); C274(1.37)  LDD0618  [11]
 LDCM0302  AC40 HCT 116 C272(1.00); C274(1.00)  LDD0619  [11]
 LDCM0303  AC41 HCT 116 C272(0.71); C274(0.71)  LDD0620  [11]
 LDCM0304  AC42 HCT 116 C272(0.94); C274(0.94)  LDD0621  [11]
 LDCM0305  AC43 HCT 116 C272(0.90); C274(0.90)  LDD0622  [11]
 LDCM0306  AC44 HCT 116 C272(0.81); C274(0.81)  LDD0623  [11]
 LDCM0307  AC45 HCT 116 C272(0.86); C274(0.86)  LDD0624  [11]
 LDCM0308  AC46 HCT 116 C272(1.16); C274(1.16)  LDD0625  [11]
 LDCM0309  AC47 HCT 116 C272(1.31); C274(1.31)  LDD0626  [11]
 LDCM0310  AC48 HCT 116 C272(1.55); C274(1.55)  LDD0627  [11]
 LDCM0311  AC49 HCT 116 C272(1.29); C274(1.29)  LDD0628  [11]
 LDCM0312  AC5 HCT 116 C295(1.16); C272(1.31); C274(1.31); C187(1.31)  LDD0629  [11]
 LDCM0313  AC50 HCT 116 C272(1.47); C274(1.47)  LDD0630  [11]
 LDCM0314  AC51 HCT 116 C272(1.59); C274(1.59)  LDD0631  [11]
 LDCM0315  AC52 HCT 116 C272(1.38); C274(1.38)  LDD0632  [11]
 LDCM0316  AC53 HCT 116 C272(1.41); C274(1.41)  LDD0633  [11]
 LDCM0317  AC54 HCT 116 C272(1.38); C274(1.38)  LDD0634  [11]
 LDCM0318  AC55 HCT 116 C272(1.58); C274(1.58)  LDD0635  [11]
 LDCM0319  AC56 HCT 116 C272(1.64); C274(1.64)  LDD0636  [11]
 LDCM0320  AC57 HCT 116 C295(1.00); C272(1.43); C274(1.43)  LDD0637  [11]
 LDCM0321  AC58 HCT 116 C295(0.68); C272(1.29); C274(1.29)  LDD0638  [11]
 LDCM0322  AC59 HCT 116 C295(0.88); C272(1.17); C274(1.17)  LDD0639  [11]
 LDCM0323  AC6 HCT 116 C295(0.87); C272(1.14); C274(1.14)  LDD0640  [11]
 LDCM0324  AC60 HCT 116 C295(0.99); C272(1.29); C274(1.29)  LDD0641  [11]
 LDCM0325  AC61 HCT 116 C295(1.03); C272(1.21); C274(1.21)  LDD0642  [11]
 LDCM0326  AC62 HCT 116 C295(1.00); C272(1.79); C274(1.79)  LDD0643  [11]
 LDCM0327  AC63 HCT 116 C272(1.13); C274(1.13); C295(1.19)  LDD0644  [11]
 LDCM0328  AC64 HCT 116 C295(1.10); C272(1.21); C274(1.21)  LDD0645  [11]
 LDCM0329  AC65 HCT 116 C295(1.08); C272(1.20); C274(1.20)  LDD0646  [11]
 LDCM0330  AC66 HCT 116 C295(1.10); C272(1.23); C274(1.23)  LDD0647  [11]
 LDCM0331  AC67 HCT 116 C295(0.85); C272(1.43); C274(1.43)  LDD0648  [11]
 LDCM0332  AC68 HCT 116 C295(0.87); C272(1.06); C274(1.06)  LDD0649  [11]
 LDCM0333  AC69 HCT 116 C272(1.04); C274(1.04); C295(1.22)  LDD0650  [11]
 LDCM0334  AC7 HCT 116 C272(0.69); C274(0.69); C295(0.87)  LDD0651  [11]
 LDCM0335  AC70 HCT 116 C272(0.93); C274(0.93); C295(1.05)  LDD0652  [11]
 LDCM0336  AC71 HCT 116 C272(0.82); C274(0.82); C295(1.22)  LDD0653  [11]
 LDCM0337  AC72 HCT 116 C272(0.88); C274(0.88); C295(1.33)  LDD0654  [11]
 LDCM0338  AC73 HCT 116 C295(1.05); C272(1.09); C274(1.09)  LDD0655  [11]
 LDCM0339  AC74 HCT 116 C272(0.99); C274(0.99); C295(1.12)  LDD0656  [11]
 LDCM0340  AC75 HCT 116 C272(1.09); C274(1.09); C295(1.33)  LDD0657  [11]
 LDCM0341  AC76 HCT 116 C295(0.94); C272(1.09); C274(1.09)  LDD0658  [11]
 LDCM0342  AC77 HCT 116 C272(0.90); C274(0.90); C295(0.97)  LDD0659  [11]
 LDCM0343  AC78 HCT 116 C272(0.75); C274(0.75); C295(1.18)  LDD0660  [11]
 LDCM0344  AC79 HCT 116 C272(0.81); C274(0.81); C295(1.34)  LDD0661  [11]
 LDCM0345  AC8 HCT 116 C272(0.81); C274(0.81); C295(0.88)  LDD0662  [11]
 LDCM0346  AC80 HCT 116 C272(0.72); C274(0.72); C295(1.14)  LDD0663  [11]
 LDCM0347  AC81 HCT 116 C272(0.85); C274(0.85); C295(1.02)  LDD0664  [11]
 LDCM0348  AC82 HCT 116 C272(0.90); C274(0.90); C295(1.17)  LDD0665  [11]
 LDCM0349  AC83 HCT 116 C295(0.94)  LDD0666  [11]
 LDCM0350  AC84 HCT 116 C295(1.03)  LDD0667  [11]
 LDCM0351  AC85 HCT 116 C295(1.01)  LDD0668  [11]
 LDCM0352  AC86 HCT 116 C295(0.97)  LDD0669  [11]
 LDCM0353  AC87 HCT 116 C295(1.02)  LDD0670  [11]
 LDCM0354  AC88 HCT 116 C295(1.04)  LDD0671  [11]
 LDCM0355  AC89 HCT 116 C295(0.88)  LDD0672  [11]
 LDCM0357  AC90 HCT 116 C295(1.25)  LDD0674  [11]
 LDCM0358  AC91 HCT 116 C295(1.03)  LDD0675  [11]
 LDCM0359  AC92 HCT 116 C295(0.73)  LDD0676  [11]
 LDCM0360  AC93 HCT 116 C295(0.73)  LDD0677  [11]
 LDCM0361  AC94 HCT 116 C295(0.97)  LDD0678  [11]
 LDCM0362  AC95 HCT 116 C295(0.88)  LDD0679  [11]
 LDCM0363  AC96 HCT 116 C295(0.94)  LDD0680  [11]
 LDCM0364  AC97 HCT 116 C295(0.94)  LDD0681  [11]
 LDCM0365  AC98 HCT 116 C272(0.61); C274(0.61)  LDD0682  [11]
 LDCM0366  AC99 HCT 116 C272(0.69); C274(0.69)  LDD0683  [11]
 LDCM0545  Acetamide MDA-MB-231 C295(0.83)  LDD2138  [9]
 LDCM0166  Afatinib A431 2.74  LDD0421  [7]
 LDCM0520  AKOS000195272 MDA-MB-231 C295(0.95)  LDD2113  [9]
 LDCM0248  AKOS034007472 HCT 116 C272(0.69); C274(0.69); C295(0.88)  LDD0565  [11]
 LDCM0356  AKOS034007680 HCT 116 C295(1.21); C272(1.38); C274(1.38)  LDD0673  [11]
 LDCM0275  AKOS034007705 HCT 116 C272(1.02); C274(1.02); C295(1.06)  LDD0592  [11]
 LDCM0156  Aniline NCI-H1299 9.96  LDD0403  [8]
 LDCM0020  ARS-1620 HCC44 C272(0.98); C274(0.98); C295(0.91)  LDD0078  [11]
 LDCM0498  BS-3668 MDA-MB-231 C295(0.91); C187(0.71)  LDD2091  [9]
 LDCM0108  Chloroacetamide HeLa C106(0.00); H423(0.00); C187(0.00); C295(0.00)  LDD0222  [23]
 LDCM0367  CL1 HCT 116 C295(0.74); C272(0.84); C274(0.84); C106(0.93)  LDD0684  [11]
 LDCM0368  CL10 HCT 116 C295(0.80); C272(0.97); C274(0.97); C187(0.98)  LDD0685  [11]
 LDCM0369  CL100 HCT 116 C295(0.93); C187(1.03); C272(1.10); C274(1.10)  LDD0686  [11]
 LDCM0370  CL101 HCT 116 C295(0.98); C272(1.25); C274(1.25)  LDD0687  [11]
 LDCM0371  CL102 HCT 116 C295(0.81); C272(0.95); C274(0.95)  LDD0688  [11]
 LDCM0372  CL103 HCT 116 C272(0.60); C274(0.60); C295(0.71)  LDD0689  [11]
 LDCM0373  CL104 HCT 116 C272(0.77); C274(0.77); C295(0.87)  LDD0690  [11]
 LDCM0374  CL105 HCT 116 C187(0.98); C295(1.08)  LDD0691  [11]
 LDCM0375  CL106 HCT 116 C295(0.80); C187(1.34)  LDD0692  [11]
 LDCM0376  CL107 HCT 116 C295(0.96); C187(1.19)  LDD0693  [11]
 LDCM0377  CL108 HCT 116 C295(1.07); C187(1.17)  LDD0694  [11]
 LDCM0378  CL109 HCT 116 C187(0.95); C295(1.09)  LDD0695  [11]
 LDCM0379  CL11 HCT 116 C295(0.64); C272(1.09); C274(1.09); C187(1.22)  LDD0696  [11]
 LDCM0380  CL110 HCT 116 C187(0.94); C295(1.06)  LDD0697  [11]
 LDCM0381  CL111 HCT 116 C187(1.01); C295(1.36)  LDD0698  [11]
 LDCM0382  CL112 HCT 116 C295(0.85); C187(0.91); C272(0.99); C274(0.99)  LDD0699  [11]
 LDCM0383  CL113 HCT 116 C295(1.08); C272(1.11); C274(1.11); C187(1.24)  LDD0700  [11]
 LDCM0384  CL114 HCT 116 C272(0.85); C274(0.85); C187(0.94); C295(1.18)  LDD0701  [11]
 LDCM0385  CL115 HCT 116 C272(0.98); C274(0.98); C187(1.03); C295(1.12)  LDD0702  [11]
 LDCM0386  CL116 HCT 116 C272(0.95); C274(0.95); C187(0.97); C295(1.03)  LDD0703  [11]
 LDCM0387  CL117 HCT 116 C272(1.22); C274(1.22)  LDD0704  [11]
 LDCM0388  CL118 HCT 116 C272(0.91); C274(0.91)  LDD0705  [11]
 LDCM0389  CL119 HCT 116 C272(0.82); C274(0.82)  LDD0706  [11]
 LDCM0390  CL12 HCT 116 C295(0.66); C272(1.29); C274(1.29); C106(1.34)  LDD0707  [11]
 LDCM0391  CL120 HCT 116 C272(0.86); C274(0.86)  LDD0708  [11]
 LDCM0392  CL121 HCT 116 C272(1.35); C274(1.35)  LDD0709  [11]
 LDCM0393  CL122 HCT 116 C272(1.31); C274(1.31)  LDD0710  [11]
 LDCM0394  CL123 HCT 116 C272(1.25); C274(1.25)  LDD0711  [11]
 LDCM0395  CL124 HCT 116 C272(1.36); C274(1.36)  LDD0712  [11]
 LDCM0396  CL125 HCT 116 C295(0.97); C272(1.17); C274(1.17)  LDD0713  [11]
 LDCM0397  CL126 HCT 116 C295(1.03); C272(1.13); C274(1.13)  LDD0714  [11]
 LDCM0398  CL127 HCT 116 C295(1.06); C272(1.08); C274(1.08)  LDD0715  [11]
 LDCM0399  CL128 HCT 116 C295(0.75); C272(1.32); C274(1.32)  LDD0716  [11]
 LDCM0400  CL13 HCT 116 C187(0.82); C295(0.85); C272(1.06); C274(1.06)  LDD0717  [11]
 LDCM0401  CL14 HCT 116 C295(0.89); C272(0.95); C274(0.95); C187(0.98)  LDD0718  [11]
 LDCM0402  CL15 HCT 116 C187(0.22); C295(0.79); C106(0.84); C272(1.46)  LDD0719  [11]
 LDCM0403  CL16 HCT 116 C106(1.05); C295(1.17)  LDD0720  [11]
 LDCM0404  CL17 HCT 116 C106(0.95); C295(1.01)  LDD0721  [11]
 LDCM0405  CL18 HCT 116 C295(1.15); C106(1.23)  LDD0722  [11]
 LDCM0406  CL19 HCT 116 C295(1.10); C106(1.20)  LDD0723  [11]
 LDCM0407  CL2 HCT 116 C187(0.55); C295(0.93); C272(1.03); C274(1.03)  LDD0724  [11]
 LDCM0408  CL20 HCT 116 C106(1.10); C295(1.13)  LDD0725  [11]
 LDCM0409  CL21 HCT 116 C295(1.02); C106(1.15)  LDD0726  [11]
 LDCM0410  CL22 HCT 116 C295(1.25); C106(1.53)  LDD0727  [11]
 LDCM0411  CL23 HCT 116 C295(1.02); C106(1.23)  LDD0728  [11]
 LDCM0412  CL24 HCT 116 C295(1.08); C106(1.29)  LDD0729  [11]
 LDCM0413  CL25 HCT 116 C106(1.06); C295(0.96)  LDD0730  [11]
 LDCM0414  CL26 HCT 116 C106(1.08); C295(0.97)  LDD0731  [11]
 LDCM0415  CL27 HCT 116 C106(1.13); C295(1.04)  LDD0732  [11]
 LDCM0416  CL28 HCT 116 C106(1.08); C295(1.07)  LDD0733  [11]
 LDCM0417  CL29 HCT 116 C106(1.16); C295(1.18)  LDD0734  [11]
 LDCM0418  CL3 HCT 116 C106(1.05); C187(0.86); C272(1.02); C274(1.02)  LDD0735  [11]
 LDCM0419  CL30 HCT 116 C106(1.18); C295(1.12)  LDD0736  [11]
 LDCM0420  CL31 HCT 116 C106(0.78); C272(1.16); C274(1.16); C295(0.94)  LDD0737  [11]
 LDCM0421  CL32 HCT 116 C106(0.95); C272(0.77); C274(0.77); C295(1.12)  LDD0738  [11]
 LDCM0422  CL33 HCT 116 C106(1.08); C272(1.21); C274(1.21); C295(0.92)  LDD0739  [11]
 LDCM0423  CL34 HCT 116 C106(0.98); C272(1.05); C274(1.05); C295(1.11)  LDD0740  [11]
 LDCM0424  CL35 HCT 116 C106(0.98); C272(1.13); C274(1.13); C295(1.07)  LDD0741  [11]
 LDCM0425  CL36 HCT 116 C106(1.05); C272(1.02); C274(1.02); C295(1.02)  LDD0742  [11]
 LDCM0426  CL37 HCT 116 C106(1.13); C272(1.20); C274(1.20); C295(1.14)  LDD0743  [11]
 LDCM0428  CL39 HCT 116 C106(1.04); C272(1.13); C274(1.13); C295(1.10)  LDD0745  [11]
 LDCM0429  CL4 HCT 116 C106(1.17); C187(2.02); C272(1.17); C274(1.17)  LDD0746  [11]
 LDCM0430  CL40 HCT 116 C106(0.93); C272(0.80); C274(0.80); C295(0.91)  LDD0747  [11]
 LDCM0431  CL41 HCT 116 C106(1.09); C272(0.85); C274(0.85); C295(1.18)  LDD0748  [11]
 LDCM0432  CL42 HCT 116 C106(1.07); C272(1.17); C274(1.17); C295(1.22)  LDD0749  [11]
 LDCM0433  CL43 HCT 116 C106(1.07); C272(1.07); C274(1.07); C295(1.09)  LDD0750  [11]
 LDCM0434  CL44 HCT 116 C106(0.98); C272(1.08); C274(1.08); C295(1.00)  LDD0751  [11]
 LDCM0435  CL45 HCT 116 C106(1.12); C272(1.59); C274(1.59); C295(1.07)  LDD0752  [11]
 LDCM0436  CL46 HCT 116 C187(1.06); C272(1.00); C274(1.00)  LDD0753  [11]
 LDCM0437  CL47 HCT 116 C187(0.86); C272(1.02); C274(1.02)  LDD0754  [11]
 LDCM0438  CL48 HCT 116 C187(1.04); C272(1.29); C274(1.29)  LDD0755  [11]
 LDCM0439  CL49 HCT 116 C187(1.06); C272(1.01); C274(1.01)  LDD0756  [11]
 LDCM0440  CL5 HCT 116 C106(1.21); C187(1.20); C272(0.91); C274(0.91)  LDD0757  [11]
 LDCM0441  CL50 HCT 116 C187(1.00); C272(0.98); C274(0.98)  LDD0758  [11]
 LDCM0442  CL51 HCT 116 C187(1.11); C272(1.02); C274(1.02)  LDD0759  [11]
 LDCM0443  CL52 HCT 116 C187(1.10); C272(1.12); C274(1.12)  LDD0760  [11]
 LDCM0444  CL53 HCT 116 C187(1.05); C272(1.23); C274(1.23)  LDD0761  [11]
 LDCM0445  CL54 HCT 116 C187(1.00); C272(0.99); C274(0.99)  LDD0762  [11]
 LDCM0446  CL55 HCT 116 C187(0.99); C272(0.99); C274(0.99)  LDD0763  [11]
 LDCM0447  CL56 HCT 116 C187(0.95); C272(1.01); C274(1.01)  LDD0764  [11]
 LDCM0448  CL57 HCT 116 C187(0.99); C272(1.21); C274(1.21)  LDD0765  [11]
 LDCM0449  CL58 HCT 116 C187(0.92); C272(0.93); C274(0.93)  LDD0766  [11]
 LDCM0450  CL59 HCT 116 C187(0.89); C272(1.06); C274(1.06)  LDD0767  [11]
 LDCM0451  CL6 HCT 116 C106(1.24); C187(1.34); C272(1.07); C274(1.07)  LDD0768  [11]
 LDCM0452  CL60 HCT 116 C187(0.88); C272(0.90); C274(0.90)  LDD0769  [11]
 LDCM0453  CL61 HCT 116 C106(1.08); C295(1.02)  LDD0770  [11]
 LDCM0454  CL62 HCT 116 C106(1.07); C295(0.94)  LDD0771  [11]
 LDCM0455  CL63 HCT 116 C106(1.07); C295(1.07)  LDD0772  [11]
 LDCM0456  CL64 HCT 116 C106(1.14); C295(1.11)  LDD0773  [11]
 LDCM0457  CL65 HCT 116 C106(1.10); C295(1.05)  LDD0774  [11]
 LDCM0458  CL66 HCT 116 C106(1.37); C295(1.35)  LDD0775  [11]
 LDCM0459  CL67 HCT 116 C106(1.40); C295(1.30)  LDD0776  [11]
 LDCM0460  CL68 HCT 116 C106(1.03); C295(1.07)  LDD0777  [11]
 LDCM0461  CL69 HCT 116 C106(1.00); C295(0.92)  LDD0778  [11]
 LDCM0462  CL7 HCT 116 C106(1.39); C187(1.02); C272(1.16); C274(1.16)  LDD0779  [11]
 LDCM0463  CL70 HCT 116 C106(1.12); C295(1.01)  LDD0780  [11]
 LDCM0464  CL71 HCT 116 C106(1.21); C295(0.92)  LDD0781  [11]
 LDCM0465  CL72 HCT 116 C106(1.12); C295(1.02)  LDD0782  [11]
 LDCM0466  CL73 HCT 116 C106(0.93); C295(0.95)  LDD0783  [11]
 LDCM0467  CL74 HCT 116 C106(1.21); C295(1.05)  LDD0784  [11]
 LDCM0469  CL76 HCT 116 C106(1.09); C272(1.02); C274(1.02); C295(1.05)  LDD0786  [11]
 LDCM0470  CL77 HCT 116 C106(1.05); C272(0.99); C274(0.99); C295(0.85)  LDD0787  [11]
 LDCM0471  CL78 HCT 116 C106(1.09); C272(0.80); C274(0.80); C295(1.09)  LDD0788  [11]
 LDCM0472  CL79 HCT 116 C106(1.09); C272(1.14); C274(1.14); C295(1.30)  LDD0789  [11]
 LDCM0473  CL8 HCT 116 C106(1.41); C187(1.27); C272(1.13); C274(1.13)  LDD0790  [11]
 LDCM0474  CL80 HCT 116 C106(1.23); C272(1.20); C274(1.20); C295(1.32)  LDD0791  [11]
 LDCM0475  CL81 HCT 116 C106(1.19); C272(1.23); C274(1.23); C295(1.11)  LDD0792  [11]
 LDCM0476  CL82 HCT 116 C106(1.29); C272(1.23); C274(1.23); C295(1.40)  LDD0793  [11]
 LDCM0477  CL83 HCT 116 C106(1.31); C272(1.35); C274(1.35); C295(1.31)  LDD0794  [11]
 LDCM0478  CL84 HCT 116 C106(1.36); C272(1.17); C274(1.17); C295(1.25)  LDD0795  [11]
 LDCM0479  CL85 HCT 116 C106(1.12); C272(0.86); C274(0.86); C295(1.23)  LDD0796  [11]
 LDCM0480  CL86 HCT 116 C106(1.19); C272(1.05); C274(1.05); C295(1.17)  LDD0797  [11]
 LDCM0481  CL87 HCT 116 C106(1.44); C272(1.16); C274(1.16); C295(1.07)  LDD0798  [11]
 LDCM0482  CL88 HCT 116 C106(1.14); C272(1.45); C274(1.45); C295(1.13)  LDD0799  [11]
 LDCM0483  CL89 HCT 116 C106(1.34); C272(1.47); C274(1.47); C295(1.50)  LDD0800  [11]
 LDCM0484  CL9 HCT 116 C106(1.25); C187(0.94); C272(0.92); C274(0.92)  LDD0801  [11]
 LDCM0485  CL90 HCT 116 C106(1.13); C272(1.00); C274(1.00); C295(0.89)  LDD0802  [11]
 LDCM0486  CL91 HCT 116 C106(1.22); C187(0.56); C272(1.13); C274(1.13)  LDD0803  [11]
 LDCM0487  CL92 HCT 116 C106(1.09); C187(1.23); C272(1.08); C274(1.08)  LDD0804  [11]
 LDCM0488  CL93 HCT 116 C106(1.28); C187(1.18); C272(1.00); C274(1.00)  LDD0805  [11]
 LDCM0489  CL94 HCT 116 C106(1.33); C187(1.16); C272(1.16); C274(1.16)  LDD0806  [11]
 LDCM0490  CL95 HCT 116 C106(1.21); C187(1.05); C272(1.12); C274(1.12)  LDD0807  [11]
 LDCM0491  CL96 HCT 116 C106(1.12); C187(1.36); C272(1.16); C274(1.16)  LDD0808  [11]
 LDCM0492  CL97 HCT 116 C106(1.39); C187(1.21); C272(1.23); C274(1.23)  LDD0809  [11]
 LDCM0493  CL98 HCT 116 C106(1.38); C187(1.39); C272(1.13); C274(1.13)  LDD0810  [11]
 LDCM0494  CL99 HCT 116 C106(1.33); C187(1.10); C272(1.48); C274(1.48)  LDD0811  [11]
 LDCM0495  E2913 HEK-293T C212(1.02); C295(0.88); C187(0.97); C106(0.97)  LDD1698  [31]
 LDCM0625  F8 Ramos C106(0.93); C187(0.41)  LDD2187  [32]
 LDCM0572  Fragment10 Ramos C106(0.61); C295(1.16); C187(0.62)  LDD2189  [32]
 LDCM0573  Fragment11 Ramos C106(0.28); C187(19.77); C382(0.12)  LDD2190  [32]
 LDCM0574  Fragment12 Ramos C106(0.61); C295(0.72); C187(0.98)  LDD2191  [32]
 LDCM0575  Fragment13 Ramos C106(1.19)  LDD2192  [32]
 LDCM0576  Fragment14 Ramos C106(0.93); C187(0.79); C382(0.70)  LDD2193  [32]
 LDCM0579  Fragment20 Ramos C106(0.52); C295(2.22); C187(0.54)  LDD2194  [32]
 LDCM0580  Fragment21 Ramos C106(0.87); C187(1.25)  LDD2195  [32]
 LDCM0582  Fragment23 Ramos C106(1.64); C187(1.52)  LDD2196  [32]
 LDCM0578  Fragment27 Ramos C106(1.00); C187(0.97)  LDD2197  [32]
 LDCM0586  Fragment28 Ramos C106(0.58)  LDD2198  [32]
 LDCM0588  Fragment30 Ramos C106(1.12); C295(0.84); C187(0.84)  LDD2199  [32]
 LDCM0589  Fragment31 Ramos C106(1.43); C187(1.14)  LDD2200  [32]
 LDCM0590  Fragment32 Ramos C106(0.61); C295(0.34); C187(0.57)  LDD2201  [32]
 LDCM0468  Fragment33 HCT 116 C106(1.21); C295(1.07)  LDD0785  [11]
 LDCM0596  Fragment38 Ramos C106(0.84); C187(0.47)  LDD2203  [32]
 LDCM0566  Fragment4 Ramos C106(0.87); C187(0.72); C382(0.46)  LDD2184  [32]
 LDCM0427  Fragment51 HCT 116 C106(0.93); C272(1.15); C274(1.15); C295(1.17)  LDD0744  [11]
 LDCM0610  Fragment52 Ramos C106(1.03); C187(0.70)  LDD2204  [32]
 LDCM0614  Fragment56 Ramos C106(1.28); C187(0.42)  LDD2205  [32]
 LDCM0569  Fragment7 Ramos C106(0.64); C187(0.53); C382(0.30)  LDD2186  [32]
 LDCM0571  Fragment9 Ramos C106(0.44); C187(0.51)  LDD2188  [32]
 LDCM0149  GA MCF-7 C106(2.79)  LDD0379  [33]
 LDCM0107  IAA HeLa C106(0.00); H423(0.00); H165(0.00); C187(0.00)  LDD0221  [23]
 LDCM0022  KB02 HCT 116 C187(1.77); C106(1.28)  LDD0080  [11]
 LDCM0023  KB03 HCT 116 C187(2.05); C106(1.66)  LDD0081  [11]
 LDCM0024  KB05 HCT 116 C187(2.18); C106(1.34)  LDD0082  [11]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C295(1.17)  LDD2121  [9]
 LDCM0109  NEM HeLa H423(0.00); C106(0.00); C295(0.00)  LDD0223  [23]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C295(1.13); C187(1.06)  LDD2089  [9]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C295(1.44)  LDD2090  [9]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C295(1.63)  LDD2093  [9]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C212(2.63)  LDD2094  [9]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C295(0.08); C212(0.49)  LDD2096  [9]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C295(0.73)  LDD2097  [9]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C295(0.35)  LDD2098  [9]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C295(1.53)  LDD2099  [9]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C187(0.55)  LDD2100  [9]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C295(0.99)  LDD2101  [9]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C187(0.69); C106(0.35)  LDD2104  [9]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C212(0.45)  LDD2106  [9]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C295(0.97)  LDD2107  [9]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C187(1.07); C106(0.34)  LDD2108  [9]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C295(0.65)  LDD2109  [9]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C187(0.62); C212(0.62)  LDD2114  [9]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C295(0.61)  LDD2115  [9]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C295(0.17); C212(0.80)  LDD2116  [9]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C295(1.50)  LDD2119  [9]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C295(0.56)  LDD2120  [9]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C295(0.09); C212(0.66)  LDD2122  [9]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C295(0.99)  LDD2123  [9]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C295(0.07)  LDD2124  [9]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C295(1.08)  LDD2125  [9]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C295(0.15)  LDD2126  [9]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C295(0.99)  LDD2127  [9]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C295(0.53)  LDD2128  [9]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C295(1.86)  LDD2129  [9]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C295(0.91)  LDD2133  [9]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C295(0.56)  LDD2134  [9]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C295(1.57)  LDD2135  [9]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C295(1.26)  LDD2136  [9]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C295(0.97)  LDD2137  [9]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C295(2.29)  LDD1700  [9]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C295(1.00)  LDD2140  [9]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C295(0.28); C187(0.78)  LDD2141  [9]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C295(0.43)  LDD2143  [9]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C295(1.67)  LDD2144  [9]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C295(0.19)  LDD2145  [9]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C295(0.97)  LDD2146  [9]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C295(0.83)  LDD2147  [9]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C295(0.61)  LDD2148  [9]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C295(0.14)  LDD2149  [9]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C295(0.74)  LDD2150  [9]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C295(0.12)  LDD2151  [9]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C295(2.05)  LDD2153  [9]
 LDCM0131  RA190 MM1.R C295(1.51); C106(1.41); C187(1.30)  LDD0304  [34]
 LDCM0021  THZ1 HCT 116 C187(1.09); C106(1.11); C272(0.82); C274(0.82)  LDD2173  [11]

The Interaction Atlas With This Target

The Drug(s) Related To This Target

Approved
Click To Hide/Show 4 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Aspartic Acid Small molecular drug DB00128
Cysteine Small molecular drug DB00151
Glutamic Acid Small molecular drug DB00142
Pyridoxal Phosphate Small molecular drug DB00114
Investigative
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate . DB02783

References

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Mass spectrometry data entry: PXD037665
2 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.
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6 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
7 Minimalist linkers suitable for irreversible inhibitors in simultaneous proteome profiling, live-cell imaging and drug screening. Chem Commun (Camb). 2019 Jan 15;55(6):834-837. doi: 10.1039/c8cc08685k.
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9 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
10 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
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12 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
13 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.
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Mass spectrometry data entry: PXD028853
15 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
16 SP3-Enabled Rapid and High Coverage Chemoproteomic Identification of Cell-State-Dependent Redox-Sensitive Cysteines. Mol Cell Proteomics. 2022 Apr;21(4):100218. doi: 10.1016/j.mcpro.2022.100218. Epub 2022 Feb 25.
Mass spectrometry data entry: PXD029500 , PXD031647
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 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
19 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
20 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
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Mass spectrometry data entry: PXD001377 , PXD005252
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Mass spectrometry data entry: PXD038010
27 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.
28 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.
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Mass spectrometry data entry: PXD044402
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Mass spectrometry data entry: PXD027578
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