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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02104166

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
173BENZOYL-FORMIC ACIDA,B1SZE0.75
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.79
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
3CAA,B2B770.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
26CA,B2F7I0.75
3BZ3-chlorobenzoateX2QVZ0.79
3BZ3-chlorobenzoateX2QVX0.79
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
7912-PHENYLMALONIC ACIDA1O4P0.71
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.71
BFLA,B1Q4G0.75
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.72
4FCA1YSG0.75