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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323360

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.72
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.74
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,G1MZN0.74
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.73
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
3BZ3-chlorobenzoateX2QVZ0.78
3BZ3-chlorobenzoateX2QVX0.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
1744-CHLORO-BENZOIC ACIDX3DLP0.78
1744-CHLORO-BENZOIC ACIDX1T5D0.78
3CAA,B2B770.75
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
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
34Z3,4-dichlorobenzoateX2QVY0.76
34Z3,4-dichlorobenzoateX2QW00.76
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.75
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.79
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.8
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.7
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
OSB2-SUCCINYLBENZOATEA1FHV0.78
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.78
OSB2-SUCCINYLBENZOATEA,B2QVH0.78
DIC3,4-DICHLOROISOCOUMARINA1DIC0.8
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.75
PHH4,5,6,7-TETRACHLORO-PHTHALIDEA,B1G0N0.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.8
26CA,B2F7I0.74
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.74
PHTPHTHALIC ACIDA,B,C2B7P0.74
PHTPHTHALIC ACIDA3C2V0.74
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.74
PHTPHTHALIC ACIDA,B3C2R0.74
FBCA,B2B9A0.74
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.74
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
4FCA1YSG0.75
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7