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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00892434

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1CD(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-
PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-
1(24),2,4,6,17(25),18,20-HEPTAENE-
23,26-DIONE
A2DS10.71
2764-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
3H-benzimidazol-5-yl]oxy]-N-methyl-
pyridine-2-carboxamide
A2QU50.8
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide
A3CTH0.71
1ST(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-
5-METHYL-7-(METHYLAMINO)-6,7,8,9-
TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-
TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-
JKL]CYCLOPENTA[E]-AS-INDACEN-14-
ONE
12HY80.7
1FN1-(4-fluorophenyl)-N-[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-
2-oxo-1,2-dihydropyridine-3-carboxamide
A3CE30.73
3122-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-METHOXY-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
A1O2Z0.75
2071-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINEA1H0W0.73
090N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-
C] QUINAZOLIN-5-YL)NICOTINAMIDE
A2CHX0.8
310N-carbamimidoyl-2-[2-(2-chlorophenyl)-
5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-
1-yl]ethanamide
A2ZDZ0.71
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A2IO60.7
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate
A1DD70.73
0392-((9H-PURIN-6-YLTHIO)METHYL)-5-
CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-
4(3H)-ONE
A2CHW0.72
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.74
3284-({4-[(4-methoxypyridin-2-yl)amino]piperidin-
1-yl}carbonyl)benzonitrile
A,B3EAI0.72
1N92,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-
4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN-
4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE
A2OFU0.71
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME
A,B2FB80.74
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.77
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI90.72
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GI50.72
3202-(4-fluorophenyl)-N-{[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
A3CTJ0.74
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.71