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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03475051

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CA1ETHYL PROPIONATEB2B0F0.82
6NAHEXANOIC ACIDA,B2IX40.71
6NAHEXANOIC ACIDA,B2IWZ0.71
6NAHEXANOIC ACIDA2IQ00.71
LEALEVULINIC ACIDP1VWR0.77
LEALEVULINIC ACIDM,P1VWJ0.77
LEALEVULINIC ACIDA,B1W1Z0.77
LEALEVULINIC ACIDA,B1B4K0.77
LEALEVULINIC ACIDM,P1VWK0.77
LEALEVULINIC ACIDP1VWQ0.77
LEALEVULINIC ACIDA1UK80.77
LEALEVULINIC ACIDM,P1VWL0.77
LEALEVULINIC ACIDM,P1VWI0.77
LEALEVULINIC ACIDA1B4E0.77
CNSHEXADECYL OCTANOATEA,B1U9O0.72
CNSHEXADECYL OCTANOATEA1U9N0.72
NONMETHYL NONANOATE (ESTER)A1QQS0.7
NONMETHYL NONANOATE (ESTER)H1CLZ0.7
NONMETHYL NONANOATE (ESTER)H1CLY0.7
SHO5-HYDROXYLAEVULINIC ACIDA1W310.74
EEEETHYL ACETATEA2QFL0.75
EEEETHYL ACETATEA,B,C1QFI0.75
EEEETHYL ACETATEA,B,C1YAH0.75
EEEETHYL ACETATEA,B,C1A7Y0.75
GBLGAMMA-BUTYROLACTONEA,B2VWD0.74
GBLGAMMA-BUTYROLACTONEA,B3F660.74
GBLGAMMA-BUTYROLACTONEA2WD10.74
GBLGAMMA-BUTYROLACTONEA,B2CBI0.74
6ULTETRACOSYL PALMITATEA,B2H260.7
4PAPROPYL ACETATEA1TQH0.79
4PAPROPYL ACETATEA2O7R0.79