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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018118

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.73
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.83
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.72
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
26CA,B2F7I0.81
1666-CARBAMIMIDOYL-2-[2-HYDROXY-6-
(4-HYDROXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ10.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.85
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.85
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.71
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.79
1NP1-NAPHTHOLX2ZVQ0.75
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.82
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.78
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.7
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.7