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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813356

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
SS11-PHENYLETHANOLH1UM50.77
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.71
TOSP-SULFINOTOLUENEH1ETT0.76
TOSP-SULFINOTOLUENEI4PAD0.76
TOSP-SULFINOTOLUENEA1EST0.76
TOSP-SULFINOTOLUENEC,G2CHA0.76
TOSP-SULFINOTOLUENEE1PPH0.76
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
OBPA,B2DE30.77
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.74
PEL2-PHENYL-ETHANOLD,H2I0T0.74
PEL2-PHENYL-ETHANOLA,B1HZY0.74
PEL2-PHENYL-ETHANOLA,B1I0B0.74
PEL2-PHENYL-ETHANOLA1EYW0.74
PEL2-PHENYL-ETHANOLA,B1JGM0.74
TSUPARA-TOLUENE SULFONATEA,B1WUW0.77
TSUPARA-TOLUENE SULFONATEA1B0D0.77
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
341(3,5-difluorophenyl)methanolC3EON0.76