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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02601438

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.91
NTSNAPHTHALENE TRISULFONATEA1RML0.89
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.89
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.89
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.89
BPSA,B2DE40.8
PEYPHENANTHRENEA,B2HML0.79
PEYPHENANTHRENEA,B2HMK0.79
AN3ANTHRACENEA,B2HMN0.79
AN3ANTHRACENEA,B2HMM0.79
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.77
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.77
TSUPARA-TOLUENE SULFONATEA,B1WUW0.74
TSUPARA-TOLUENE SULFONATEA1B0D0.74
MAJindane-5-sulfonamideA2QOA0.73
TOSP-SULFINOTOLUENEH1ETT0.73
TOSP-SULFINOTOLUENEI4PAD0.73
TOSP-SULFINOTOLUENEA1EST0.73
TOSP-SULFINOTOLUENEC,G2CHA0.73
TOSP-SULFINOTOLUENEE1PPH0.73
NPYNAPHTHALENEA,B1O7G0.72
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.72
B69A2ZCR0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.71
BDBA,B1KE30.7