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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02601437

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPSA,B2DE40.82
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.91
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.91
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.91
TSUPARA-TOLUENE SULFONATEA,B1WUW0.76
TSUPARA-TOLUENE SULFONATEA1B0D0.76
BDBA,B1KE30.7
MAJindane-5-sulfonamideA2QOA0.72
NPYNAPHTHALENEA,B1O7G0.7
NTSNAPHTHALENE TRISULFONATEA1RML0.87
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.71
TOSP-SULFINOTOLUENEH1ETT0.75
TOSP-SULFINOTOLUENEI4PAD0.75
TOSP-SULFINOTOLUENEA1EST0.75
TOSP-SULFINOTOLUENEC,G2CHA0.75
TOSP-SULFINOTOLUENEE1PPH0.75
PEYPHENANTHRENEA,B2HML0.77
PEYPHENANTHRENEA,B2HMK0.77
B69A2ZCR0.7
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.93
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.71
AN3ANTHRACENEA,B2HMN0.77
AN3ANTHRACENEA,B2HMM0.77
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.79
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.79