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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00498756

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
7912-PHENYLMALONIC ACIDA1O4P0.72
26CA,B2F7I0.8
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.81
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
4FCA1YSG0.8
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.71
34Z3,4-dichlorobenzoateX2QVY0.79
34Z3,4-dichlorobenzoateX2QW00.79
3CAA,B2B770.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
1744-CHLORO-BENZOIC ACIDX3DLP0.81
1744-CHLORO-BENZOIC ACIDX1T5D0.81
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.75
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.75
3BZ3-chlorobenzoateX2QVZ0.81
3BZ3-chlorobenzoateX2QVX0.81
173BENZOYL-FORMIC ACIDA,B1SZE0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.81
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.75