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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03469591

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
3CAA,B2B770.72
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.81
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.87
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.76
173BENZOYL-FORMIC ACIDA,B1SZE0.72
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.77
34Z3,4-dichlorobenzoateX2QVY0.73
34Z3,4-dichlorobenzoateX2QW00.73
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.75
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.73
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.84
4FCA1YSG0.7
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.84
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.7