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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02399659

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
1744-CHLORO-BENZOIC ACIDX3DLP0.78
1744-CHLORO-BENZOIC ACIDX1T5D0.78
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.71
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.71
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.76
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.72
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.74
34Z3,4-dichlorobenzoateX2QVY0.74
34Z3,4-dichlorobenzoateX2QW00.74
3BZ3-chlorobenzoateX2QVZ0.76
3BZ3-chlorobenzoateX2QVX0.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.77
GB4(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2IMA0.72
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.74