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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00922428

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MGVP-FLUORO-7-BENZYL GUANINE MONOPHOSPHATEA,E2V8Y0.7
4HI(3R,5R)-7-[4-(benzylcarbamoyl)-
2-(4-fluorophenyl)-5-(1-methylethyl)-
1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
B,C,D3CCW0.73
DBG3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-
GUANYLATE ESTER
A1RVD0.7
DBG3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-
GUANYLATE ESTER
A1CLU0.7
UN8N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YL]METHYL}PHENYL)-1-METHYL-
1H-IMIDAZOLE-4-SULFONAMIDE
A,B2GMV0.7
PM1[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-
IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-
METHANONE
A1PYE0.81
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.75
5HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-
5-(1-methylethyl)-1H-imidazol-1-
yl]-3,5-dihydroxyheptanoic acid
A,B,C,D3CCZ0.73
I242-butoxy-9-(2,6-difluorobenzyl)-
N-(2-morpholin-4-ylethyl)-9H-purin-
6-amine
A,B2VVT0.73
GDV(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-
DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDINE-2-CARBOXAMIDE
A2J470.7
NAQNICOTINAMIDE ADENINE DINUCLEOTIDE 3-
PENTANONE ADDUCT
A,B1B160.7
NBDN6-BENZYL-NICOTINAMIDE-ADENINE-
DINUCLEOTIDE
A,B,C,D1GYQ0.7
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1NDW0.72
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.75
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.77
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.72
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
A2QD90.74
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
A1UML0.7
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
A2R9C0.7
NDCNICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONEA1B2L0.71
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.79
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,B2RGU0.76
NAENICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCTA,B1B150.7
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
B2BPZ0.71
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
B2BPY0.71
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
B1C6X0.71
FR61-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-
1H-IMIDAZOLE-4-CARBOXAMIDE
A2E1W0.71
LIR2-[(3S)-3-AMINOPIPERIDIN-1-YL]-
1-(2-CYANOBENZYL)-5-METHYL-4,6-
DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-
D]IMIDAZOL-1-IUM
A2I3Z0.73
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.71
XIH2-({8-[(3R)-3-AMINOPIPERIDIN-1-
YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-
TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
A2GBI0.81
P385-methyl-4-[(2-methyl-5-{[(2-morpholin-
4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-
N-(1-phenylethenyl)pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide
A3BV20.71
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.74
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one
A3C2N0.73
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
A1ZYS0.7
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
A,B,C,D2AJ80.84
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine
A2W170.71
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUC0.7
MGQ7-BENZYL GUANINE MONOPHOSPHATEA,E2V8X0.71