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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01225917

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PVS(ethenylsulfonyl)benzeneA3BLU0.73
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
TLD4-methylbenzene-1,2-dithiolA2Z940.73
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.7
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
SMLPHENYL METHYL SULFONEA,I1D6W0.72
SMLPHENYL METHYL SULFONEA,I1D9I0.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.76
BCSBENZYLCYSTEINEA1EH80.76
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.75
TSUPARA-TOLUENE SULFONATEA,B1WUW0.72
TSUPARA-TOLUENE SULFONATEA1B0D0.72
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.77
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
TOSP-SULFINOTOLUENEH1ETT0.73
TOSP-SULFINOTOLUENEI4PAD0.73
TOSP-SULFINOTOLUENEA1EST0.73
TOSP-SULFINOTOLUENEC,G2CHA0.73
TOSP-SULFINOTOLUENEE1PPH0.73
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72