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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03027317

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 ACIDI1QUR0.86
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.86
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.86
NPYNAPHTHALENEA,B1O7G0.74
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.7
NTSNAPHTHALENE TRISULFONATEA1RML0.84
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.77
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.77
AN3ANTHRACENEA,B2HMN0.75
AN3ANTHRACENEA,B2HMM0.75
PEYPHENANTHRENEA,B2HML0.75
PEYPHENANTHRENEA,B2HMK0.75
TOSP-SULFINOTOLUENEH1ETT0.73
TOSP-SULFINOTOLUENEI4PAD0.73
TOSP-SULFINOTOLUENEA1EST0.73
TOSP-SULFINOTOLUENEC,G2CHA0.73
TOSP-SULFINOTOLUENEE1PPH0.73
MAJindane-5-sulfonamideA2QOA0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.74
TSUPARA-TOLUENE SULFONATEA1B0D0.74
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.84
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.76
B69A2ZCR0.77