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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02634513

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BDEN'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDEA,B,C,D,E,F2GLP0.71
3262-{(E)-[5-HYDROXY-3-METHYL-1-(2-
METHYL-4-SULFOPHENYL)-1H-PYRAZOL-
4-YL]DIAZENYL}-4-SULFOBENZOIC ACID
A,B1THZ0.71
NOWNalpha-[(3-tert-butyl-1-methyl-
1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-
2-iminoethyl]-3-methyl-L-phenylalaninamide
A,B,C,D3HHA0.73
76A3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-
HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-
C]PYRAZOLE-6-CARBOXAMIDE
A2E9N0.76
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.73
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.73
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.72
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.75
M546-(3-aminopropyl)-4-(3-hydroxyphenyl)-
9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-
1(2H)-one
A2R0U0.76
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE
A1XH60.71
A584-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-
1,4-DIHYDROINDENO[1,2-C]PYRAZOL-
3-YL)BENZOIC ACID
A2E9O0.73
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH80.71
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.71
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID
A,B1VDV0.71
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH70.71
2E15-(5-CHLORO-2,4-DIHYDROXYPHENYL)-
N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-
3-CARBOXAMIDE
A2CCT0.7
AIZ3-{6-[(2-CHLOROPHENYL)AMINO]-1H-
INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID
A2B1P0.71
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.7
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol
A,B3EKO0.7
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.71
GG21-(4-METHOXYPHENYL)-7-OXO-6-[4-
(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-
TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-
3-CARBOXAMIDE
A2P160.72
0612-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-
5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-
4-ONE
A,B1A8T0.71
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.71
2D7N-(4-ACETYLPHENYL)-5-(5-CHLORO-
2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-
4-CARBOXAMIDE
A2BYH0.74
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.7
KN14-[1-allyl-7-(trifluoromethyl)-
1H-indazol-3-yl]benzene-1,3-diol
A,B2QZO0.72