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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01930115

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FR91-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-
1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1O5R0.7
FR31-((1R)-1-(HYDROXYMETHYL)-3-(1-
NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-
CARBOXAMIDE
A1NDY0.72
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B,C,D,F,G,H,
I,J,K,L
1S640.72
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B1S630.72
LGF1-[(3AR)-5-{[3-(2,4-DIFLUOROPHENYL)-
5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-
7(8H)-YL]CARBONYL}-6-METHOXY-3AH-
PYRROLO[2,3-B]PYRIDIN-3-YL]-2-[(3R)-
3-HYDROXYPYRROLIDIN-1-YL]-2-OXOETHANONE
A2QD90.7
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.72
GSRA1AF10.71
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1NDW0.75
FR61-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-
1H-IMIDAZOLE-4-CARBOXAMIDE
A2E1W0.74
XIH2-({8-[(3R)-3-AMINOPIPERIDIN-1-
YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-
TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
A2GBI0.75
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
A,B,C,D2AJ80.77
GSSA1AP10.71
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.75
GRDbenzyl (S)-1-((2S,3S)-1-(3-(6-amino-
9H-purin-9-yl)propylamino)-2-hydroxy-
1-oxopentan-3-ylamino)-4-methyl-
1-oxopentan-2-ylcarbamate
A2R9C0.71
FR71-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-
2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-
CARBOXAMIDE
A1V790.79
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione
A,B2RGU0.72
MGQ7-BENZYL GUANINE MONOPHOSPHATEA,E2V8X0.71
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.71
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE
B2BPZ0.7
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE
B2BPY0.7
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE
B1C6X0.7