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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003369

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.77
1744-CHLORO-BENZOIC ACIDX1T5D0.77
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.72
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.84
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.81
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.78
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.84
34Z3,4-dichlorobenzoateX2QVY0.73
34Z3,4-dichlorobenzoateX2QW00.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.76
3HB3-HYDROXYBENZOIC ACIDA2DKH0.76
26CA,B2F7I0.86
4MA4-METHYLBENZOIC ACIDA,H2HRG0.86
4FCA1YSG0.85