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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03322911

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AT5-OXOHEXANOIC ACIDA,B2EFY0.7
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.73
GAQ5-HYDROXYPENTANALA,B1ZLP0.72
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.7
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.7
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.7
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.73
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.73
4MV4-METHYL VALERIC ACIDA2ECO0.73
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.73
4MV4-METHYL VALERIC ACIDA,B2COG0.73
MEV(R)-MEVALONATEA,B1QAY0.72
MEV(R)-MEVALONATEA2HFU0.72
MEV(R)-MEVALONATEA,B1R310.72
SHFLAEVULINIC ACIDA1YLV0.73
SHFLAEVULINIC ACIDA1H7N0.73
6NAHEXANOIC ACIDA,B2IX40.75
6NAHEXANOIC ACIDA,B2IWZ0.75
6NAHEXANOIC ACIDA2IQ00.75
SHO5-HYDROXYLAEVULINIC ACIDA1W310.88
LEALEVULINIC ACIDP1VWR0.82
LEALEVULINIC ACIDM,P1VWJ0.82
LEALEVULINIC ACIDA,B1W1Z0.82
LEALEVULINIC ACIDA,B1B4K0.82
LEALEVULINIC ACIDM,P1VWK0.82
LEALEVULINIC ACIDP1VWQ0.82
LEALEVULINIC ACIDA1UK80.82
LEALEVULINIC ACIDM,P1VWL0.82
LEALEVULINIC ACIDM,P1VWI0.82
LEALEVULINIC ACIDA1B4E0.82
BUABUTANOIC ACIDA2CZ00.73
BUABUTANOIC ACIDA1P0I0.73
BUABUTANOIC ACIDA,B2HA70.73
BUABUTANOIC ACIDA1UK70.73
BUABUTANOIC ACIDA2J4C0.73
BUABUTANOIC ACIDA1ZRM0.73
BUABUTANOIC ACIDA3DLT0.73
BUABUTANOIC ACIDA1UGP0.73
BUABUTANOIC ACIDA,B2CZ10.73
MSUSUCCINIC ACID MONOMETHYL ESTERA,B,I,J2RDL0.7
MSUSUCCINIC ACID MONOMETHYL ESTERI1HNE0.7
MSUSUCCINIC ACID MONOMETHYL ESTERA,B2H5D0.7
MSUSUCCINIC ACID MONOMETHYL ESTERE,I3PRK0.7
GUAGLUTARIC ACIDA,B1JW00.8
GUAGLUTARIC ACIDA,B,C,D1B4N0.8
GUAGLUTARIC ACIDA1AMS0.8
GUAGLUTARIC ACIDA,B1XEY0.8
GUAGLUTARIC ACIDA1CZC0.8
GUAGLUTARIC ACIDA,B,C1IYD0.8