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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865821

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
142CARBIDOPAA,B1JS30.75
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.8
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.74
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.72
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
1666-CARBAMIMIDOYL-2-[2-HYDROXY-6-
(4-HYDROXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ10.7
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.71
26CA,B2F7I0.75
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.77
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.79
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.79
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.7
1NP1-NAPHTHOLX2ZVQ0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.75