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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01289923

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.74
TLD4-methylbenzene-1,2-dithiolA2Z940.7
BCSBENZYLCYSTEINEA,B,G,H10GS0.76
BCSBENZYLCYSTEINEA1EH80.76
PVS(ethenylsulfonyl)benzeneA3BLU0.7
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.73
TOSP-SULFINOTOLUENEH1ETT0.7
TOSP-SULFINOTOLUENEI4PAD0.7
TOSP-SULFINOTOLUENEA1EST0.7
TOSP-SULFINOTOLUENEC,G2CHA0.7
TOSP-SULFINOTOLUENEE1PPH0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.76