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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02590013

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
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
FBCA,B2B9A0.76
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.72
4FCA1YSG0.76
26CA,B2F7I0.76
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.7
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.7
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.75
3CAA,B2B770.73
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.78
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.78
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.76
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.83
34Z3,4-dichlorobenzoateX2QVY0.74
34Z3,4-dichlorobenzoateX2QW00.74
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.75
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.75
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.78
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
PHH4,5,6,7-TETRACHLORO-PHTHALIDEA,B1G0N0.72
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.71
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.75
DIC3,4-DICHLOROISOCOUMARINA1DIC0.79