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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03474602

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
7505-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-
2-CARBOXYLIC ACID ((S)-3-METHYL-
1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-
YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE
A,B1NL60.71
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.7
AG1RUTHENIUM PYRIDOCARBAZOLEA,B2JLD0.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.7
43A(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-
3-(1H-PYRROL-2-YLMETHYLENE)-1,3-
DIHYDRO-2H-INDOL-2-ONE
A2AYP0.73
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.73
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.8
0623-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-
L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-
OXIDE
A,B1ZRB0.74
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.71
A85N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE
A,B1DIF0.7
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.8
24XH,L2EC90.72
2CABENZOFURAN-2-CARBOXYLIC ACID {(S)-
3-METHYL-1-[3-OXO-1-(PYRIDIN-2-
YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
A,B1NLJ0.71
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPV0.75
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPW0.75
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.74
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.72
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE
A2OF20.72
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.76
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.76
4HT4-HYDROXYTRYPTOPHANH,L1RU90.71
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.71