Details of the Target

General Information of Target

Target ID LDTP04345
Target Name Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial (IDH3A)
Gene Name IDH3A
Gene ID 3419
Synonyms
Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial; EC 1.1.1.41; Isocitric dehydrogenase subunit alpha; NAD(+)-specific ICDH subunit alpha
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MAGPAWISKVSRLLGAFHNPKQVTRGFTGGVQTVTLIPGDGIGPEISAAVMKIFDAAKAP
IQWEERNVTAIQGPGGKWMIPSEAKESMDKNKMGLKGPLKTPIAAGHPSMNLLLRKTFDL
YANVRPCVSIEGYKTPYTDVNIVTIRENTEGEYSGIEHVIVDGVVQSIKLITEGASKRIA
EFAFEYARNNHRSNVTAVHKANIMRMSDGLFLQKCREVAESCKDIKFNEMYLDTVCLNMV
QDPSQFDVLVMPNLYGDILSDLCAGLIGGLGVTPSGNIGANGVAIFESVHGTAPDIAGKD
MANPTALLLSAVMMLRHMGLFDHAARIEAACFATIKDGKSLTKDLGGNAKCSDFTEEICR
RVKDLD
Target Bioclass
Enzyme
Family
Isocitrate and isopropylmalate dehydrogenases family
Subcellular location
Mitochondrion
Function
Catalytic subunit of the enzyme which catalyzes the decarboxylation of isocitrate (ICT) into alpha-ketoglutarate. The heterodimer composed of the alpha (IDH3A) and beta (IDH3B) subunits and the heterodimer composed of the alpha (IDH3A) and gamma (IDH3G) subunits, have considerable basal activity but the full activity of the heterotetramer (containing two subunits of IDH3A, one of IDH3B and one of IDH3G) requires the assembly and cooperative function of both heterodimers.
Uniprot ID
P50213
Ensemble ID
ENST00000299518.7
HGNC ID
HGNC:5384
ChEMBL ID
CHEMBL4296004

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
CCK81 SNV: p.M318T DBIA    Probe Info 
CMK SNV: p.S8Y DBIA    Probe Info 
HT115 SNV: p.L210F DBIA    Probe Info 
LN229 SNV: p.L13M DBIA    Probe Info 
MFE319 SNV: p.G75R DBIA    Probe Info 
SNU1 SNV: p.A16T DBIA    Probe Info 
TE4 SNV: p.S109C DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 35 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		13.55  LDD0402  [1]
N1
 Probe Info  		100.00  LDD0242  [2]
TH211
 Probe Info  		Y137(12.08); Y186(7.97)  LDD0257  [3]
TH214
 Probe Info  		Y137(13.96)  LDD0258  [3]
TH216
 Probe Info  		Y137(20.00); Y186(10.88)  LDD0259  [3]
STPyne
 Probe Info  		K100(7.14); K200(4.97); K343(0.78); K77(9.30)  LDD0277  [4]
ONAyne
 Probe Info  		N.A.  LDD0273  [4]
Probe 1
 Probe Info  		Y153(8.19); Y186(6.49)  LDD3495  [5]
JZ128-DTB
 Probe Info  		N.A.  LDD0462  [6]
BTD
 Probe Info  		C331(1.06)  LDD2089  [7]
HHS-482
 Probe Info  		Y137(0.09)  LDD0286  [8]
HHS-475
 Probe Info  		Y121(0.95)  LDD0264  [9]
DBIA
 Probe Info  		C331(1.00)  LDD0078  [10]
5E-2FA
 Probe Info  		N.A.  LDD2235  [11]
ATP probe
 Probe Info  		K100(0.00); K77(0.00); K350(0.00)  LDD0199  [12]
4-Iodoacetamidophenylacetylene
 Probe Info  		C222(0.00); C331(0.00); C127(0.00)  LDD0038  [13]
IA-alkyne
 Probe Info  		C351(0.00); C127(0.00)  LDD0032  [14]
IPIAA_L
 Probe Info  		N.A.  LDD0031  [15]
Lodoacetamide azide
 Probe Info  		C331(0.00); C127(0.00); C222(0.00); C351(0.00)  LDD0037  [13]
NAIA_4
 Probe Info  		N.A.  LDD2226  [16]
TFBX
 Probe Info  		C351(0.00); C331(0.00)  LDD0027  [17]
WYneN
 Probe Info  		N.A.  LDD0021  [18]
Compound 10
 Probe Info  		N.A.  LDD2216  [19]
ENE
 Probe Info  		N.A.  LDD0006  [18]
IPM
 Probe Info  		N.A.  LDD0005  [18]
NHS
 Probe Info  		K77(0.00); K343(0.00)  LDD0010  [18]
Phosphinate-6
 Probe Info  		C331(0.00); C127(0.00); C351(0.00); C222(0.00)  LDD0018  [20]
1c-yne
 Probe Info  		K77(0.00); K58(0.00); K100(0.00)  LDD0228  [21]
Acrolein
 Probe Info  		C331(0.00); H158(0.00); C222(0.00)  LDD0217  [22]
Crotonaldehyde
 Probe Info  		C331(0.00); C222(0.00); H317(0.00); H107(0.00)  LDD0219  [22]
Methacrolein
 Probe Info  		N.A.  LDD0218  [22]
W1
 Probe Info  		N.A.  LDD0236  [23]
AOyne
 Probe Info  		12.70  LDD0443  [24]
NAIA_5
 Probe Info  		C351(0.00); C331(0.00); C127(0.00); C359(0.00)  LDD2223  [16]
HHS-465
 Probe Info  		Y153(0.00); K77(0.00); K169(0.00)  LDD2240  [25]
PAL-AfBPP Probe
Click To Hide/Show 10 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C187
 Probe Info  		15.35  LDD1865  [26]
C191
 Probe Info  		10.34  LDD1868  [26]
C193
 Probe Info  		5.31  LDD1869  [26]
C278
 Probe Info  		86.22  LDD1948  [26]
FFF probe13
 Probe Info  		12.29  LDD0475  [27]
FFF probe14
 Probe Info  		12.05  LDD0477  [27]
STS-2
 Probe Info  		N.A.  LDD0138  [28]
VE-P
 Probe Info  		N.A.  LDD0396  [29]
DA-2
 Probe Info  		N.A.  LDD0070  [30]
STS-1
 Probe Info  		N.A.  LDD0068  [31]

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 C331(0.49)  LDD2142  [7]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C331(0.49); C222(1.17)  LDD2112  [7]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C331(0.78)  LDD2095  [7]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C331(0.78)  LDD2130  [7]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C331(1.04); C222(1.27)  LDD2117  [7]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C331(1.01)  LDD2152  [7]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C331(0.86)  LDD2131  [7]
 LDCM0214  AC1 HCT 116 C222(1.14); C331(0.71); C351(1.00); C359(1.15)  LDD0531  [10]
 LDCM0215  AC10 HCT 116 C222(0.90); C331(0.82); C351(0.95); C359(0.98)  LDD0532  [10]
 LDCM0216  AC100 HCT 116 C222(0.69); C331(0.81); C351(1.05); C359(0.71)  LDD0533  [10]
 LDCM0217  AC101 HCT 116 C222(0.65); C331(0.66); C351(0.92); C359(0.69)  LDD0534  [10]
 LDCM0218  AC102 HCT 116 C222(0.72); C331(0.74); C351(0.87); C359(0.79)  LDD0535  [10]
 LDCM0219  AC103 HCT 116 C222(0.63); C331(0.62); C351(0.75); C359(0.63)  LDD0536  [10]
 LDCM0220  AC104 HCT 116 C222(0.60); C331(0.70); C351(0.84); C359(0.93)  LDD0537  [10]
 LDCM0221  AC105 HCT 116 C222(0.60); C331(0.58); C351(0.99); C359(0.89)  LDD0538  [10]
 LDCM0222  AC106 HCT 116 C222(0.66); C331(0.64); C351(0.90); C359(0.88)  LDD0539  [10]
 LDCM0223  AC107 HCT 116 C222(0.63); C331(1.13); C351(0.90); C359(0.71)  LDD0540  [10]
 LDCM0224  AC108 HCT 116 C222(0.78); C331(0.82); C351(0.81); C359(0.82)  LDD0541  [10]
 LDCM0225  AC109 HCT 116 C222(0.68); C331(0.86); C351(0.87); C359(0.97)  LDD0542  [10]
 LDCM0226  AC11 HCT 116 C222(0.85); C331(0.77); C351(0.78); C359(0.86)  LDD0543  [10]
 LDCM0227  AC110 HCT 116 C222(0.70); C331(0.87); C351(0.67); C359(0.85)  LDD0544  [10]
 LDCM0228  AC111 HCT 116 C222(0.70); C331(0.88); C351(0.70); C359(0.83)  LDD0545  [10]
 LDCM0229  AC112 HCT 116 C222(0.60); C331(1.01); C351(0.83); C359(0.82)  LDD0546  [10]
 LDCM0230  AC113 HCT 116 C222(1.31); C331(1.29); C351(1.08); C359(1.08)  LDD0547  [10]
 LDCM0231  AC114 HCT 116 C222(1.20); C331(1.01); C351(0.90); C359(0.93)  LDD0548  [10]
 LDCM0232  AC115 HCT 116 C222(1.20); C331(1.11); C351(0.89); C359(0.85)  LDD0549  [10]
 LDCM0233  AC116 HCT 116 C222(1.17); C331(0.97); C351(0.80); C359(0.99)  LDD0550  [10]
 LDCM0234  AC117 HCT 116 C222(1.20); C331(1.13); C351(0.85); C359(0.97)  LDD0551  [10]
 LDCM0235  AC118 HCT 116 C222(1.11); C331(1.02); C351(0.92); C359(1.06)  LDD0552  [10]
 LDCM0236  AC119 HCT 116 C222(1.12); C331(1.03); C351(0.86); C359(0.93)  LDD0553  [10]
 LDCM0237  AC12 HCT 116 C222(0.97); C331(0.87); C351(0.96); C359(1.08)  LDD0554  [10]
 LDCM0238  AC120 HCT 116 C222(1.11); C331(1.12); C351(0.92); C359(1.00)  LDD0555  [10]
 LDCM0239  AC121 HCT 116 C222(1.23); C331(1.58); C351(1.09); C359(1.31)  LDD0556  [10]
 LDCM0240  AC122 HCT 116 C222(1.23); C331(1.08); C351(1.00); C359(1.15)  LDD0557  [10]
 LDCM0241  AC123 HCT 116 C222(1.42); C331(1.75); C351(1.09); C359(1.33)  LDD0558  [10]
 LDCM0242  AC124 HCT 116 C222(1.30); C331(1.46); C351(0.93); C359(1.16)  LDD0559  [10]
 LDCM0243  AC125 HCT 116 C222(1.13); C331(1.07); C351(0.90); C359(1.00)  LDD0560  [10]
 LDCM0244  AC126 HCT 116 C222(1.16); C331(1.14); C351(0.94); C359(1.12)  LDD0561  [10]
 LDCM0245  AC127 HCT 116 C222(1.32); C331(1.18); C351(1.05); C359(1.13)  LDD0562  [10]
 LDCM0246  AC128 HCT 116 C222(1.31); C351(0.69); C359(0.69)  LDD0563  [10]
 LDCM0247  AC129 HCT 116 C222(1.13); C351(0.97); C359(0.97)  LDD0564  [10]
 LDCM0249  AC130 HCT 116 C222(1.08); C351(0.77); C359(0.77)  LDD0566  [10]
 LDCM0250  AC131 HCT 116 C222(1.19); C351(0.97); C359(0.97)  LDD0567  [10]
 LDCM0251  AC132 HCT 116 C222(1.13); C351(1.40); C359(1.40)  LDD0568  [10]
 LDCM0252  AC133 HCT 116 C222(1.45); C351(1.69); C359(1.69)  LDD0569  [10]
 LDCM0253  AC134 HCT 116 C222(1.09); C351(0.86); C359(0.86)  LDD0570  [10]
 LDCM0254  AC135 HCT 116 C222(1.05); C351(0.98); C359(0.98)  LDD0571  [10]
 LDCM0255  AC136 HCT 116 C222(1.50); C351(0.67); C359(0.67)  LDD0572  [10]
 LDCM0256  AC137 HCT 116 C222(1.49); C351(0.88); C359(0.88)  LDD0573  [10]
 LDCM0257  AC138 HCT 116 C222(1.12); C351(0.72); C359(0.72)  LDD0574  [10]
 LDCM0258  AC139 HCT 116 C222(1.46); C351(0.76); C359(0.76)  LDD0575  [10]
 LDCM0259  AC14 HCT 116 C222(0.92); C331(0.85); C351(0.94); C359(0.94)  LDD0576  [10]
 LDCM0260  AC140 HCT 116 C222(1.23); C351(0.54); C359(0.54)  LDD0577  [10]
 LDCM0261  AC141 HCT 116 C222(1.05); C351(0.81); C359(0.81)  LDD0578  [10]
 LDCM0262  AC142 HCT 116 C222(1.42); C351(0.81); C359(0.81)  LDD0579  [10]
 LDCM0263  AC143 HCT 116 C222(1.17); C331(0.53); C351(0.88); C359(0.86)  LDD0580  [10]
 LDCM0264  AC144 HCT 116 C331(0.72); C359(0.86); C351(0.97); C222(1.06)  LDD0581  [10]
 LDCM0265  AC145 HCT 116 C331(0.81); C359(0.95); C351(1.02); C222(1.09)  LDD0582  [10]
 LDCM0266  AC146 HCT 116 C331(0.60); C359(0.91); C351(1.12); C222(1.17)  LDD0583  [10]
 LDCM0267  AC147 HCT 116 C331(0.74); C359(0.91); C351(0.97); C222(1.15)  LDD0584  [10]
 LDCM0268  AC148 HCT 116 C331(0.76); C351(0.92); C359(0.94); C222(1.23)  LDD0585  [10]
 LDCM0269  AC149 HCT 116 C331(0.56); C359(0.80); C351(1.00); C222(1.18)  LDD0586  [10]
 LDCM0270  AC15 HCT 116 C331(0.84); C222(0.87); C351(0.93); C359(0.96)  LDD0587  [10]
 LDCM0271  AC150 HCT 116 C331(0.62); C359(0.97); C351(1.02); C222(1.21)  LDD0588  [10]
 LDCM0272  AC151 HCT 116 C331(0.66); C359(1.02); C222(1.19); C351(1.30)  LDD0589  [10]
 LDCM0273  AC152 HCT 116 C359(0.79); C351(0.86); C331(0.88); C222(1.13)  LDD0590  [10]
 LDCM0274  AC153 HCT 116 C331(0.71); C359(0.95); C351(0.97); C222(1.42)  LDD0591  [10]
 LDCM0621  AC154 HCT 116 C222(1.22); C331(0.63); C351(1.14); C359(0.89)  LDD2158  [10]
 LDCM0622  AC155 HCT 116 C222(1.10); C331(0.92); C351(1.02); C359(1.03)  LDD2159  [10]
 LDCM0623  AC156 HCT 116 C222(1.09); C331(0.81); C351(1.16); C359(1.13)  LDD2160  [10]
 LDCM0624  AC157 HCT 116 C222(1.18); C331(1.26); C351(1.18); C359(1.20)  LDD2161  [10]
 LDCM0276  AC17 HCT 116 C359(0.80); C351(0.88); C331(1.01); C222(1.07)  LDD0593  [10]
 LDCM0277  AC18 HCT 116 C359(0.69); C351(0.71); C222(1.12); C331(1.12)  LDD0594  [10]
 LDCM0278  AC19 HCT 116 C359(0.60); C351(0.71); C222(1.07); C331(1.13)  LDD0595  [10]
 LDCM0279  AC2 HCT 116 C331(0.71); C222(0.99); C351(1.08); C359(1.20)  LDD0596  [10]
 LDCM0280  AC20 HCT 116 C351(0.72); C359(0.75); C331(1.13); C222(1.19)  LDD0597  [10]
 LDCM0281  AC21 HCT 116 C359(0.70); C351(0.77); C331(1.03); C222(1.05)  LDD0598  [10]
 LDCM0282  AC22 HCT 116 C359(0.68); C351(0.79); C331(1.15); C222(1.15)  LDD0599  [10]
 LDCM0283  AC23 HCT 116 C359(0.63); C351(0.76); C331(1.08); C222(1.13)  LDD0600  [10]
 LDCM0284  AC24 HCT 116 C359(0.71); C351(1.06); C222(1.11); C331(1.20)  LDD0601  [10]
 LDCM0285  AC25 HCT 116 C331(0.67); C222(0.93); C351(1.36); C359(1.45)  LDD0602  [10]
 LDCM0286  AC26 HCT 116 C331(0.79); C222(0.90); C351(1.25); C359(1.37)  LDD0603  [10]
 LDCM0287  AC27 HCT 116 C222(0.92); C331(0.94); C351(1.21); C359(1.53)  LDD0604  [10]
 LDCM0288  AC28 HCT 116 C331(0.89); C222(1.54); C351(1.73); C359(1.88)  LDD0605  [10]
 LDCM0289  AC29 HCT 116 C331(0.78); C222(0.92); C351(1.40); C359(1.45)  LDD0606  [10]
 LDCM0290  AC3 HCT 116 C331(0.53); C222(0.93); C351(1.01); C359(1.26)  LDD0607  [10]
 LDCM0291  AC30 HCT 116 C331(0.82); C222(0.90); C351(1.03); C359(1.29)  LDD0608  [10]
 LDCM0292  AC31 HCT 116 C331(0.57); C222(1.03); C351(1.37); C359(1.46)  LDD0609  [10]
 LDCM0293  AC32 HCT 116 C331(0.77); C222(0.98); C351(1.22); C359(1.42)  LDD0610  [10]
 LDCM0294  AC33 HCT 116 C331(0.79); C222(0.93); C351(1.38); C359(1.72)  LDD0611  [10]
 LDCM0295  AC34 HCT 116 C222(0.83); C331(0.94); C351(1.25); C359(1.77)  LDD0612  [10]
 LDCM0296  AC35 HCT 116 C359(0.86); C351(0.94); C331(1.09); C222(1.14)  LDD0613  [10]
 LDCM0297  AC36 HCT 116 C359(0.95); C331(1.07); C222(1.14); C351(1.15)  LDD0614  [10]
 LDCM0298  AC37 HCT 116 C359(1.15); C222(1.17); C331(1.24); C351(1.26)  LDD0615  [10]
 LDCM0299  AC38 HCT 116 C359(0.95); C222(1.05); C331(1.06); C351(1.27)  LDD0616  [10]
 LDCM0300  AC39 HCT 116 C331(0.90); C351(0.95); C359(1.08); C222(1.10)  LDD0617  [10]
 LDCM0301  AC4 HCT 116 C331(0.66); C222(0.96); C351(0.96); C359(1.24)  LDD0618  [10]
 LDCM0302  AC40 HCT 116 C331(0.96); C351(0.97); C222(1.09); C359(1.17)  LDD0619  [10]
 LDCM0303  AC41 HCT 116 C359(0.99); C331(1.03); C351(1.14); C222(1.21)  LDD0620  [10]
 LDCM0304  AC42 HCT 116 C331(0.97); C222(1.13); C351(1.15); C359(1.15)  LDD0621  [10]
 LDCM0305  AC43 HCT 116 C331(0.93); C351(1.01); C359(1.04); C222(1.14)  LDD0622  [10]
 LDCM0306  AC44 HCT 116 C331(0.96); C359(0.98); C351(1.03); C222(1.11)  LDD0623  [10]
 LDCM0307  AC45 HCT 116 C359(1.09); C331(1.12); C222(1.17); C351(1.20)  LDD0624  [10]
 LDCM0308  AC46 HCT 116 C222(1.04); C359(1.25); C351(1.36)  LDD0625  [10]
 LDCM0309  AC47 HCT 116 C222(1.09); C351(1.11); C359(1.28)  LDD0626  [10]
 LDCM0310  AC48 HCT 116 C222(1.17); C351(1.34); C359(1.38)  LDD0627  [10]
 LDCM0311  AC49 HCT 116 C222(1.08); C359(1.12); C351(1.23)  LDD0628  [10]
 LDCM0312  AC5 HCT 116 C331(0.55); C222(1.02); C351(1.16); C359(1.17)  LDD0629  [10]
 LDCM0313  AC50 HCT 116 C222(1.11); C351(1.16); C359(1.17)  LDD0630  [10]
 LDCM0314  AC51 HCT 116 C359(1.08); C222(1.14); C351(1.45)  LDD0631  [10]
 LDCM0315  AC52 HCT 116 C222(1.07); C359(1.13); C351(1.24)  LDD0632  [10]
 LDCM0316  AC53 HCT 116 C222(1.03); C359(1.13); C351(1.19)  LDD0633  [10]
 LDCM0317  AC54 HCT 116 C222(1.04); C359(1.27); C351(1.33)  LDD0634  [10]
 LDCM0318  AC55 HCT 116 C222(1.08); C351(1.16); C359(1.21)  LDD0635  [10]
 LDCM0319  AC56 HCT 116 C222(1.06); C359(1.23); C351(1.26)  LDD0636  [10]
 LDCM0320  AC57 HCT 116 C331(0.70); C359(0.90); C222(1.17); C351(1.56)  LDD0637  [10]
 LDCM0321  AC58 HCT 116 C359(0.79); C331(0.86); C351(1.08); C222(1.27)  LDD0638  [10]
 LDCM0322  AC59 HCT 116 C331(0.60); C359(0.66); C351(0.71); C222(1.20)  LDD0639  [10]
 LDCM0323  AC6 HCT 116 C222(0.81); C331(0.82); C351(0.98); C359(1.12)  LDD0640  [10]
 LDCM0324  AC60 HCT 116 C359(0.68); C331(0.68); C222(1.26); C351(1.51)  LDD0641  [10]
 LDCM0325  AC61 HCT 116 C331(0.59); C351(0.82); C359(1.04); C222(1.35)  LDD0642  [10]
 LDCM0326  AC62 HCT 116 C331(0.70); C351(0.78); C359(0.84); C222(1.11)  LDD0643  [10]
 LDCM0327  AC63 HCT 116 C331(0.71); C359(0.91); C222(1.14); C351(1.44)  LDD0644  [10]
 LDCM0328  AC64 HCT 116 C331(0.63); C351(0.83); C359(0.84); C222(1.27)  LDD0645  [10]
 LDCM0329  AC65 HCT 116 C331(0.64); C351(0.83); C359(0.94); C222(1.58)  LDD0646  [10]
 LDCM0330  AC66 HCT 116 C331(0.65); C351(0.84); C359(0.90); C222(1.15)  LDD0647  [10]
 LDCM0331  AC67 HCT 116 C331(0.59); C351(0.80); C359(1.04); C222(1.18)  LDD0648  [10]
 LDCM0332  AC68 HCT 116 C331(0.79); C222(1.24); C351(1.28); C359(1.57)  LDD0649  [10]
 LDCM0333  AC69 HCT 116 C331(0.86); C351(1.05); C222(1.10); C359(1.65)  LDD0650  [10]
 LDCM0334  AC7 HCT 116 C331(0.77); C359(0.84); C351(0.85); C222(0.90)  LDD0651  [10]
 LDCM0335  AC70 HCT 116 C331(0.70); C351(1.09); C359(1.37); C222(1.43)  LDD0652  [10]
 LDCM0336  AC71 HCT 116 C331(0.77); C222(1.22); C351(1.26); C359(2.01)  LDD0653  [10]
 LDCM0337  AC72 HCT 116 C331(0.77); C351(1.10); C222(1.15); C359(1.52)  LDD0654  [10]
 LDCM0338  AC73 HCT 116 C331(0.89); C222(1.16); C351(1.28); C359(1.40)  LDD0655  [10]
 LDCM0339  AC74 HCT 116 C331(0.82); C222(1.10); C351(1.14); C359(1.28)  LDD0656  [10]
 LDCM0340  AC75 HCT 116 C331(0.76); C351(1.16); C222(1.18); C359(1.72)  LDD0657  [10]
 LDCM0341  AC76 HCT 116 C331(0.81); C222(1.15); C351(1.28); C359(1.85)  LDD0658  [10]
 LDCM0342  AC77 HCT 116 C331(0.93); C222(1.35); C351(1.54); C359(1.73)  LDD0659  [10]
 LDCM0343  AC78 HCT 116 C331(0.71); C351(1.12); C222(1.31); C359(1.61)  LDD0660  [10]
 LDCM0344  AC79 HCT 116 C331(0.77); C222(1.03); C351(1.26); C359(1.49)  LDD0661  [10]
 LDCM0345  AC8 HCT 116 C351(0.74); C331(0.80); C359(0.80); C222(0.92)  LDD0662  [10]
 LDCM0346  AC80 HCT 116 C331(0.85); C351(1.13); C222(1.22); C359(1.62)  LDD0663  [10]
 LDCM0347  AC81 HCT 116 C331(0.94); C351(0.99); C359(1.66); C222(1.68)  LDD0664  [10]
 LDCM0348  AC82 HCT 116 C331(0.54); C351(0.96); C222(1.29); C359(1.49)  LDD0665  [10]
 LDCM0349  AC83 HCT 116 C351(0.77); C331(0.94); C359(0.94); C222(0.99)  LDD0666  [10]
 LDCM0350  AC84 HCT 116 C359(0.76); C351(0.79); C331(0.94); C222(1.09)  LDD0667  [10]
 LDCM0351  AC85 HCT 116 C359(0.77); C351(0.78); C331(0.79); C222(1.17)  LDD0668  [10]
 LDCM0352  AC86 HCT 116 C359(0.86); C331(0.95); C222(1.03); C351(1.07)  LDD0669  [10]
 LDCM0353  AC87 HCT 116 C359(0.97); C331(1.15); C351(1.18); C222(1.26)  LDD0670  [10]
 LDCM0354  AC88 HCT 116 C351(0.87); C359(0.93); C331(0.94); C222(1.02)  LDD0671  [10]
 LDCM0355  AC89 HCT 116 C351(0.92); C359(0.95); C331(1.04); C222(1.10)  LDD0672  [10]
 LDCM0357  AC90 HCT 116 C359(1.19); C222(1.27); C331(1.41); C351(1.52)  LDD0674  [10]
 LDCM0358  AC91 HCT 116 C331(0.96); C222(1.08); C351(1.11); C359(1.14)  LDD0675  [10]
 LDCM0359  AC92 HCT 116 C359(0.85); C351(0.94); C331(1.03); C222(1.03)  LDD0676  [10]
 LDCM0360  AC93 HCT 116 C351(0.76); C359(0.77); C331(1.10); C222(1.13)  LDD0677  [10]
 LDCM0361  AC94 HCT 116 C359(0.76); C351(0.91); C331(0.95); C222(1.01)  LDD0678  [10]
 LDCM0362  AC95 HCT 116 C359(0.95); C351(1.05); C222(1.05); C331(1.15)  LDD0679  [10]
 LDCM0363  AC96 HCT 116 C351(0.82); C331(0.97); C222(1.09); C359(1.12)  LDD0680  [10]
 LDCM0364  AC97 HCT 116 C359(0.89); C351(0.91); C331(0.91); C222(1.00)  LDD0681  [10]
 LDCM0365  AC98 HCT 116 C222(0.53); C331(0.56); C351(0.59); C359(0.62)  LDD0682  [10]
 LDCM0366  AC99 HCT 116 C222(0.64); C331(0.74); C351(0.76); C359(0.76)  LDD0683  [10]
 LDCM0545  Acetamide MDA-MB-231 C331(0.69)  LDD2138  [7]
 LDCM0248  AKOS034007472 HCT 116 C222(0.94); C331(0.88); C351(1.05); C359(1.21)  LDD0565  [10]
 LDCM0356  AKOS034007680 HCT 116 C331(0.74); C351(0.88); C222(0.89); C359(0.98)  LDD0673  [10]
 LDCM0275  AKOS034007705 HCT 116 C331(0.77); C222(0.91); C351(0.96); C359(0.99)  LDD0592  [10]
 LDCM0156  Aniline NCI-H1299 11.74  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C331(1.00)  LDD0078  [10]
 LDCM0498  BS-3668 MDA-MB-231 C331(0.91)  LDD2091  [7]
 LDCM0108  Chloroacetamide HeLa C331(0.00); H107(0.00); H317(0.00); C222(0.00)  LDD0222  [22]
 LDCM0632  CL-Sc Hep-G2 C351(20.00); C222(20.00); C331(1.28); C331(1.16)  LDD2227  [16]
 LDCM0367  CL1 HCT 116 C359(0.92); C222(0.95); C351(0.99); C331(1.12)  LDD0684  [10]
 LDCM0368  CL10 HCT 116 C331(0.47); C359(1.13); C351(1.15); C222(1.21)  LDD0685  [10]
 LDCM0369  CL100 HCT 116 C331(0.69); C351(0.93); C222(0.99); C359(0.99)  LDD0686  [10]
 LDCM0370  CL101 HCT 116 C351(0.82); C331(0.83); C222(0.86); C359(0.88)  LDD0687  [10]
 LDCM0371  CL102 HCT 116 C222(0.82); C331(1.06); C351(1.06); C359(1.06)  LDD0688  [10]
 LDCM0372  CL103 HCT 116 C222(0.85); C331(0.96); C351(0.98); C359(1.09)  LDD0689  [10]
 LDCM0373  CL104 HCT 116 C331(0.89); C222(0.89); C351(0.93); C359(1.03)  LDD0690  [10]
 LDCM0374  CL105 HCT 116 C359(0.65); C351(0.82); C331(0.92); C222(1.02)  LDD0691  [10]
 LDCM0375  CL106 HCT 116 C359(0.60); C351(0.75); C331(1.09); C222(1.13)  LDD0692  [10]
 LDCM0376  CL107 HCT 116 C359(0.71); C351(0.82); C331(0.92); C222(1.14)  LDD0693  [10]
 LDCM0377  CL108 HCT 116 C359(0.76); C351(0.88); C331(0.95); C222(1.03)  LDD0694  [10]
 LDCM0378  CL109 HCT 116 C359(0.70); C351(0.70); C331(1.07); C222(1.07)  LDD0695  [10]
 LDCM0379  CL11 HCT 116 C331(1.06); C359(1.11); C222(1.17); C351(1.36)  LDD0696  [10]
 LDCM0380  CL110 HCT 116 C351(0.82); C331(0.84); C359(0.86); C222(0.96)  LDD0697  [10]
 LDCM0381  CL111 HCT 116 C351(0.67); C359(0.71); C331(0.97); C222(1.07)  LDD0698  [10]
 LDCM0382  CL112 HCT 116 C351(0.90); C331(0.95); C222(1.01); C359(1.05)  LDD0699  [10]
 LDCM0383  CL113 HCT 116 C331(0.80); C222(0.91); C351(1.11); C359(1.37)  LDD0700  [10]
 LDCM0384  CL114 HCT 116 C331(0.64); C222(1.00); C351(1.17); C359(1.42)  LDD0701  [10]
 LDCM0385  CL115 HCT 116 C331(0.77); C222(0.92); C359(1.44); C351(1.73)  LDD0702  [10]
 LDCM0386  CL116 HCT 116 C331(0.73); C222(0.81); C359(1.40); C351(1.70)  LDD0703  [10]
 LDCM0387  CL117 HCT 116 C351(0.78); C331(0.99); C359(1.04); C222(1.13)  LDD0704  [10]
 LDCM0388  CL118 HCT 116 C331(0.96); C222(1.09); C359(1.12); C351(1.34)  LDD0705  [10]
 LDCM0389  CL119 HCT 116 C351(0.90); C331(1.00); C222(1.09); C359(1.12)  LDD0706  [10]
 LDCM0390  CL12 HCT 116 C222(1.14); C331(1.18); C359(1.29); C351(1.60)  LDD0707  [10]
 LDCM0391  CL120 HCT 116 C331(0.92); C359(1.06); C222(1.20); C351(1.35)  LDD0708  [10]
 LDCM0392  CL121 HCT 116 C351(0.99); C222(1.07); C359(1.15)  LDD0709  [10]
 LDCM0393  CL122 HCT 116 C222(1.03); C351(1.17); C359(1.17)  LDD0710  [10]
 LDCM0394  CL123 HCT 116 C222(0.96); C351(1.19); C359(1.26)  LDD0711  [10]
 LDCM0395  CL124 HCT 116 C222(1.06); C351(1.40); C359(1.42)  LDD0712  [10]
 LDCM0396  CL125 HCT 116 C359(0.75); C331(0.82); C222(1.03); C351(1.49)  LDD0713  [10]
 LDCM0397  CL126 HCT 116 C359(0.64); C331(0.66); C351(0.68); C222(1.47)  LDD0714  [10]
 LDCM0398  CL127 HCT 116 C351(0.59); C359(0.70); C331(0.87); C222(1.51)  LDD0715  [10]
 LDCM0399  CL128 HCT 116 C351(0.77); C331(0.77); C359(0.86); C222(1.14)  LDD0716  [10]
 LDCM0400  CL13 HCT 116 C359(0.88); C222(1.04); C331(1.06); C351(1.35)  LDD0717  [10]
 LDCM0401  CL14 HCT 116 C359(0.87); C222(1.03); C331(1.11); C351(1.20)  LDD0718  [10]
 LDCM0402  CL15 HCT 116 C331(0.81); C359(0.89); C222(1.01); C351(1.10)  LDD0719  [10]
 LDCM0403  CL16 HCT 116 C359(0.80); C222(0.86); C351(0.92); C331(1.00)  LDD0720  [10]
 LDCM0404  CL17 HCT 116 C359(0.79); C351(0.88); C222(0.90); C331(0.90)  LDD0721  [10]
 LDCM0405  CL18 HCT 116 C359(0.93); C351(1.06); C222(1.09); C331(1.17)  LDD0722  [10]
 LDCM0406  CL19 HCT 116 C331(0.92); C222(0.94); C359(0.96); C351(1.01)  LDD0723  [10]
 LDCM0407  CL2 HCT 116 C359(0.88); C222(0.94); C351(1.10); C331(1.13)  LDD0724  [10]
 LDCM0408  CL20 HCT 116 C359(0.90); C351(0.98); C222(0.99); C331(1.02)  LDD0725  [10]
 LDCM0409  CL21 HCT 116 C359(0.79); C351(0.89); C222(0.90); C331(0.94)  LDD0726  [10]
 LDCM0410  CL22 HCT 116 C359(0.77); C351(0.89); C222(1.07); C331(1.08)  LDD0727  [10]
 LDCM0411  CL23 HCT 116 C351(0.74); C359(0.83); C222(0.97); C331(1.17)  LDD0728  [10]
 LDCM0412  CL24 HCT 116 C351(0.93); C359(0.99); C331(1.02); C222(1.03)  LDD0729  [10]
 LDCM0413  CL25 HCT 116 C222(0.98); C331(0.90); C351(0.81); C359(0.79)  LDD0730  [10]
 LDCM0414  CL26 HCT 116 C222(0.99); C331(1.08); C351(0.93); C359(0.69)  LDD0731  [10]
 LDCM0415  CL27 HCT 116 C222(0.96); C331(0.98); C351(1.36); C359(0.89)  LDD0732  [10]
 LDCM0416  CL28 HCT 116 C222(0.93); C331(0.94); C351(1.15); C359(0.85)  LDD0733  [10]
 LDCM0417  CL29 HCT 116 C222(0.96); C331(0.98); C351(0.95); C359(1.09)  LDD0734  [10]
 LDCM0418  CL3 HCT 116 C222(1.11); C331(1.23); C351(1.24); C359(1.08)  LDD0735  [10]
 LDCM0419  CL30 HCT 116 C222(0.78); C331(0.93); C351(0.73); C359(0.80)  LDD0736  [10]
 LDCM0420  CL31 HCT 116 C222(0.85); C331(0.78); C351(0.68); C359(0.92)  LDD0737  [10]
 LDCM0421  CL32 HCT 116 C222(0.91); C331(0.73); C351(0.88); C359(0.90)  LDD0738  [10]
 LDCM0422  CL33 HCT 116 C222(0.90); C331(0.73); C351(0.88); C359(0.90)  LDD0739  [10]
 LDCM0423  CL34 HCT 116 C222(0.77); C331(0.83); C351(0.84); C359(0.83)  LDD0740  [10]
 LDCM0424  CL35 HCT 116 C222(0.93); C331(0.81); C351(0.98); C359(0.92)  LDD0741  [10]
 LDCM0425  CL36 HCT 116 C222(0.81); C331(1.04); C351(0.91); C359(0.92)  LDD0742  [10]
 LDCM0426  CL37 HCT 116 C222(0.81); C331(0.76); C351(0.93); C359(0.97)  LDD0743  [10]
 LDCM0428  CL39 HCT 116 C222(0.98); C331(0.77); C351(1.06); C359(0.97)  LDD0745  [10]
 LDCM0429  CL4 HCT 116 C222(0.91); C331(1.13); C351(1.12); C359(1.09)  LDD0746  [10]
 LDCM0430  CL40 HCT 116 C222(0.82); C331(0.77); C351(0.98); C359(0.93)  LDD0747  [10]
 LDCM0431  CL41 HCT 116 C222(0.88); C331(1.02); C351(0.87); C359(0.86)  LDD0748  [10]
 LDCM0432  CL42 HCT 116 C222(1.05); C331(0.92); C351(0.97); C359(0.89)  LDD0749  [10]
 LDCM0433  CL43 HCT 116 C222(1.02); C331(0.96); C351(1.02); C359(1.05)  LDD0750  [10]
 LDCM0434  CL44 HCT 116 C222(0.86); C331(0.73); C351(1.12); C359(1.09)  LDD0751  [10]
 LDCM0435  CL45 HCT 116 C222(0.98); C331(0.75); C351(1.00); C359(1.02)  LDD0752  [10]
 LDCM0436  CL46 HCT 116 C222(1.17); C331(1.13); C351(1.06); C359(1.34)  LDD0753  [10]
 LDCM0437  CL47 HCT 116 C222(1.04); C331(1.14); C351(1.06); C359(1.00)  LDD0754  [10]
 LDCM0438  CL48 HCT 116 C222(0.95); C331(1.14); C351(1.77); C359(1.06)  LDD0755  [10]
 LDCM0439  CL49 HCT 116 C222(0.83); C331(1.36); C351(1.25); C359(1.27)  LDD0756  [10]
 LDCM0440  CL5 HCT 116 C222(1.06); C331(1.04); C351(1.32); C359(1.19)  LDD0757  [10]
 LDCM0441  CL50 HCT 116 C222(0.96); C331(1.28); C351(1.24); C359(1.05)  LDD0758  [10]
 LDCM0442  CL51 HCT 116 C222(1.29); C331(1.18); C351(1.35); C359(1.37)  LDD0759  [10]
 LDCM0443  CL52 HCT 116 C222(0.82); C331(1.26); C351(1.16); C359(1.00)  LDD0760  [10]
 LDCM0444  CL53 HCT 116 C222(0.92); C331(1.34); C351(0.98); C359(0.78)  LDD0761  [10]
 LDCM0445  CL54 HCT 116 C222(1.11); C331(1.09); C351(1.11); C359(1.09)  LDD0762  [10]
 LDCM0446  CL55 HCT 116 C222(1.09); C331(1.52); C351(1.10); C359(1.28)  LDD0763  [10]
 LDCM0447  CL56 HCT 116 C222(1.09); C331(1.26); C351(1.05); C359(1.02)  LDD0764  [10]
 LDCM0448  CL57 HCT 116 C222(0.94); C331(1.13); C351(0.99); C359(0.97)  LDD0765  [10]
 LDCM0449  CL58 HCT 116 C222(1.00); C331(1.16); C351(1.72); C359(1.21)  LDD0766  [10]
 LDCM0450  CL59 HCT 116 C222(0.95); C331(1.16); C351(1.07); C359(1.26)  LDD0767  [10]
 LDCM0451  CL6 HCT 116 C222(0.92); C331(0.87); C351(1.18); C359(1.04)  LDD0768  [10]
 LDCM0452  CL60 HCT 116 C222(0.93); C331(1.10); C351(1.09); C359(1.25)  LDD0769  [10]
 LDCM0453  CL61 HCT 116 C222(0.98); C331(1.03); C351(1.31); C359(1.29)  LDD0770  [10]
 LDCM0454  CL62 HCT 116 C222(1.09); C331(0.93); C351(1.02); C359(1.06)  LDD0771  [10]
 LDCM0455  CL63 HCT 116 C222(1.01); C331(0.76); C351(1.02); C359(1.12)  LDD0772  [10]
 LDCM0456  CL64 HCT 116 C222(0.87); C331(0.75); C351(1.08); C359(1.02)  LDD0773  [10]
 LDCM0457  CL65 HCT 116 C222(1.10); C331(0.87); C351(1.04); C359(0.83)  LDD0774  [10]
 LDCM0458  CL66 HCT 116 C222(1.07); C331(0.77); C351(0.98); C359(0.86)  LDD0775  [10]
 LDCM0459  CL67 HCT 116 C222(0.91); C331(0.82); C351(1.13); C359(0.97)  LDD0776  [10]
 LDCM0460  CL68 HCT 116 C222(0.94); C331(0.81); C351(1.19); C359(0.98)  LDD0777  [10]
 LDCM0461  CL69 HCT 116 C222(1.00); C331(1.15); C351(1.12); C359(0.88)  LDD0778  [10]
 LDCM0462  CL7 HCT 116 C222(1.04); C331(0.93); C351(1.39); C359(0.99)  LDD0779  [10]
 LDCM0463  CL70 HCT 116 C222(1.04); C331(0.83); C351(1.08); C359(1.10)  LDD0780  [10]
 LDCM0464  CL71 HCT 116 C222(1.01); C331(0.76); C351(0.87); C359(1.01)  LDD0781  [10]
 LDCM0465  CL72 HCT 116 C222(1.00); C331(1.00); C351(1.37); C359(0.85)  LDD0782  [10]
 LDCM0466  CL73 HCT 116 C222(0.90); C331(1.52); C351(0.99); C359(0.93)  LDD0783  [10]
 LDCM0467  CL74 HCT 116 C222(0.90); C331(1.04); C351(1.04); C359(1.13)  LDD0784  [10]
 LDCM0469  CL76 HCT 116 C222(0.93); C331(0.82); C351(0.80); C359(0.85)  LDD0786  [10]
 LDCM0470  CL77 HCT 116 C222(0.82); C331(2.80); C351(0.80); C359(0.69)  LDD0787  [10]
 LDCM0471  CL78 HCT 116 C222(0.95); C331(0.78); C351(0.74); C359(0.74)  LDD0788  [10]
 LDCM0472  CL79 HCT 116 C222(0.87); C331(0.81); C351(0.89); C359(1.14)  LDD0789  [10]
 LDCM0473  CL8 HCT 116 C222(0.89); C331(0.97); C351(1.37); C359(0.61)  LDD0790  [10]
 LDCM0474  CL80 HCT 116 C222(0.93); C331(1.02); C351(0.98); C359(0.88)  LDD0791  [10]
 LDCM0475  CL81 HCT 116 C222(0.88); C331(0.79); C351(0.83); C359(0.82)  LDD0792  [10]
 LDCM0476  CL82 HCT 116 C222(0.97); C331(0.73); C351(0.91); C359(0.86)  LDD0793  [10]
 LDCM0477  CL83 HCT 116 C222(0.96); C331(0.79); C351(0.83); C359(0.72)  LDD0794  [10]
 LDCM0478  CL84 HCT 116 C222(0.96); C331(0.89); C351(0.84); C359(0.87)  LDD0795  [10]
 LDCM0479  CL85 HCT 116 C222(0.98); C331(0.78); C351(0.90); C359(0.81)  LDD0796  [10]
 LDCM0480  CL86 HCT 116 C222(1.09); C331(0.95); C351(0.80); C359(0.70)  LDD0797  [10]
 LDCM0481  CL87 HCT 116 C222(0.91); C331(0.70); C351(0.99); C359(0.75)  LDD0798  [10]
 LDCM0482  CL88 HCT 116 C222(0.93); C331(0.88); C351(0.89); C359(0.87)  LDD0799  [10]
 LDCM0483  CL89 HCT 116 C222(1.00); C331(0.74); C351(0.73); C359(0.71)  LDD0800  [10]
 LDCM0484  CL9 HCT 116 C222(1.15); C331(1.02); C351(1.19); C359(1.25)  LDD0801  [10]
 LDCM0485  CL90 HCT 116 C222(0.89); C331(0.94); C351(0.76); C359(0.73)  LDD0802  [10]
 LDCM0486  CL91 HCT 116 C222(0.84); C331(0.60); C351(0.98); C359(0.98)  LDD0803  [10]
 LDCM0487  CL92 HCT 116 C222(0.78); C331(0.89); C351(0.96); C359(0.96)  LDD0804  [10]
 LDCM0488  CL93 HCT 116 C222(0.92); C331(1.03); C351(0.95); C359(1.13)  LDD0805  [10]
 LDCM0489  CL94 HCT 116 C222(0.82); C331(0.89); C351(0.98); C359(1.13)  LDD0806  [10]
 LDCM0490  CL95 HCT 116 C222(0.75); C331(0.78); C351(0.94); C359(0.98)  LDD0807  [10]
 LDCM0491  CL96 HCT 116 C222(0.95); C331(0.57); C351(0.79); C359(1.15)  LDD0808  [10]
 LDCM0492  CL97 HCT 116 C222(0.90); C331(0.62); C351(0.90); C359(1.12)  LDD0809  [10]
 LDCM0493  CL98 HCT 116 C222(1.05); C331(0.50); C351(0.94); C359(1.31)  LDD0810  [10]
 LDCM0494  CL99 HCT 116 C222(1.03); C331(0.48); C351(0.90); C359(1.27)  LDD0811  [10]
 LDCM0495  E2913 HEK-293T C222(0.80); C127(1.03); C331(0.79); C351(0.93)  LDD1698  [32]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C351(3.43); C331(1.22)  LDD1702  [7]
 LDCM0625  F8 Ramos C222(1.32); C331(0.71); 1.54; C127(1.56)  LDD2187  [33]
 LDCM0572  Fragment10 Ramos C222(0.92); C331(0.48); 1.02; C127(0.79)  LDD2189  [33]
 LDCM0573  Fragment11 Ramos C222(0.18); C331(0.03); 1.27; C127(0.41)  LDD2190  [33]
 LDCM0574  Fragment12 Ramos C222(1.73); C331(0.83); 0.97; C127(1.08)  LDD2191  [33]
 LDCM0575  Fragment13 Ramos C222(1.08); C331(0.88); 1.05; C127(1.02)  LDD2192  [33]
 LDCM0576  Fragment14 Ramos C222(1.09); C331(0.92); 0.81; C127(2.09)  LDD2193  [33]
 LDCM0579  Fragment20 Ramos C222(1.67); C331(0.90); 1.20; C127(1.02)  LDD2194  [33]
 LDCM0580  Fragment21 Ramos C222(0.94); C331(0.95); 0.93; C127(0.47)  LDD2195  [33]
 LDCM0582  Fragment23 Ramos C222(2.58); C331(1.91); 1.60; C127(0.84)  LDD2196  [33]
 LDCM0578  Fragment27 Ramos C222(0.92); C331(0.91); 0.97; C127(1.71)  LDD2197  [33]
 LDCM0586  Fragment28 Ramos C222(0.79); C331(1.34); 0.98; C127(0.88)  LDD2198  [33]
 LDCM0588  Fragment30 Ramos C222(1.22); C331(0.71); 0.89; C127(0.40)  LDD2199  [33]
 LDCM0589  Fragment31 Ramos C222(1.09); C331(1.34); 1.25; C127(0.82)  LDD2200  [33]
 LDCM0590  Fragment32 Ramos C222(1.13); C331(0.47); 0.66; C127(0.68)  LDD2201  [33]
 LDCM0468  Fragment33 HCT 116 C222(0.95); C331(0.85); C351(1.13); C359(0.92)  LDD0785  [10]
 LDCM0596  Fragment38 Ramos C222(1.13); C331(0.60); 0.75; C127(0.51)  LDD2203  [33]
 LDCM0566  Fragment4 Ramos C222(1.11); C331(0.96); 1.41; C127(1.16)  LDD2184  [33]
 LDCM0427  Fragment51 HCT 116 C222(0.73); C331(0.85); C351(0.84); C359(0.77)  LDD0744  [10]
 LDCM0610  Fragment52 Ramos C222(1.50); C331(0.68); 1.13  LDD2204  [33]
 LDCM0614  Fragment56 Ramos C222(1.52); C331(0.76); 1.23; C127(0.47)  LDD2205  [33]
 LDCM0569  Fragment7 Ramos C222(1.25); C331(1.05); 1.26; C127(1.19)  LDD2186  [33]
 LDCM0571  Fragment9 Ramos C222(1.56); C331(0.86); 1.04; C127(0.77)  LDD2188  [33]
 LDCM0116  HHS-0101 DM93 Y121(0.95)  LDD0264  [9]
 LDCM0117  HHS-0201 DM93 Y121(0.97)  LDD0265  [9]
 LDCM0118  HHS-0301 DM93 Y121(0.26)  LDD0266  [9]
 LDCM0119  HHS-0401 DM93 Y121(0.40)  LDD0267  [9]
 LDCM0120  HHS-0701 DM93 Y121(1.51)  LDD0268  [9]
 LDCM0015  HNE MDA-MB-231 C127(1.07)  LDD0346  [33]
 LDCM0107  IAA HeLa H158(0.00); C331(0.00); H317(0.00); H107(0.00)  LDD0221  [22]
 LDCM0124  JWB142 DM93 Y137(0.09)  LDD0286  [8]
 LDCM0125  JWB146 DM93 Y137(1.26)  LDD0287  [8]
 LDCM0126  JWB150 DM93 Y137(0.20)  LDD0288  [8]
 LDCM0127  JWB152 DM93 Y137(1.42)  LDD0289  [8]
 LDCM0128  JWB198 DM93 Y137(0.05)  LDD0290  [8]
 LDCM0130  JWB211 DM93 Y137(0.05)  LDD0292  [8]
 LDCM0179  JZ128 PC-3 N.A.  LDD0462  [6]
 LDCM0022  KB02 HCT 116 C351(1.66); C359(1.49); C222(1.27); C127(1.56)  LDD0080  [10]
 LDCM0023  KB03 HCT 116 C351(1.91); C359(1.62); C222(1.45); C127(2.54)  LDD0081  [10]
 LDCM0024  KB05 HCT 116 C351(1.88); C359(1.62); C222(1.55); C127(1.47)  LDD0082  [10]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C331(1.08)  LDD2102  [7]
 LDCM0109  NEM HeLa H158(0.00); H317(0.00); H107(0.00)  LDD0223  [22]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C331(1.06)  LDD2089  [7]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C331(0.98)  LDD2090  [7]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C331(0.89)  LDD2093  [7]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C331(0.93)  LDD2098  [7]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C331(1.50); C222(1.65)  LDD2099  [7]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C331(0.49)  LDD2100  [7]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C331(0.96)  LDD2101  [7]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C331(0.56)  LDD2104  [7]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C331(0.51)  LDD2106  [7]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C331(0.96); C222(1.19)  LDD2107  [7]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C222(1.00)  LDD2109  [7]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C331(0.61)  LDD2110  [7]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C331(1.07)  LDD2111  [7]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C331(0.46)  LDD2115  [7]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C331(1.26); C222(1.79)  LDD2119  [7]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C331(0.83); C222(0.93)  LDD2123  [7]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C222(1.09)  LDD2125  [7]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C222(1.07)  LDD2127  [7]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C331(1.01); C222(1.09)  LDD2129  [7]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C331(0.59); C222(0.33)  LDD2133  [7]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C331(0.71)  LDD2134  [7]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C331(1.04); C222(0.99)  LDD2135  [7]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C331(1.36); C222(1.55)  LDD2136  [7]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C331(0.93); C222(1.38)  LDD2137  [7]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C331(0.96); C222(1.08)  LDD2140  [7]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C222(1.04)  LDD2141  [7]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C331(1.12)  LDD2144  [7]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C331(1.10)  LDD2146  [7]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C222(0.29)  LDD2148  [7]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C331(1.48)  LDD2153  [7]
 LDCM0627  NUDT7-COV-1 HEK-293T C351(1.37)  LDD2206  [34]
 LDCM0628  OTUB2-COV-1 HEK-293T C331(0.27)  LDD2207  [34]
 LDCM0131  RA190 MM1.R C351(1.12)  LDD0304  [35]
 LDCM0021  THZ1 HCT 116 C331(1.15); C351(0.91); C359(0.91)  LDD2173  [10]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial (IDH3G) Isocitrate and isopropylmalate dehydrogenases family P51553
Serine hydroxymethyltransferase, cytosolic (SHMT1) SHMT family P34896

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
Manganese Small molecular drug DB06757
Nadh Small molecular drug DB00157
Copper . DB09130
Xanthinol . DB09092

References

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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.
3 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.
4 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
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 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.
7 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
8 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
9 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.
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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.
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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 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
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
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Mass spectrometry data entry: PXD022279
20 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
21 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.
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Mass spectrometry data entry: PXD038010
26 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
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 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.
29 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.
30 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.
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32 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
33 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
34 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.
35 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.