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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00431864

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SHO5-HYDROXYLAEVULINIC ACIDA1W310.7
MEV(R)-MEVALONATEA,B1QAY0.73
MEV(R)-MEVALONATEA2HFU0.73
MEV(R)-MEVALONATEA,B1R310.73
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.81
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.81
LEALEVULINIC ACIDP1VWR0.73
LEALEVULINIC ACIDM,P1VWJ0.73
LEALEVULINIC ACIDA,B1W1Z0.73
LEALEVULINIC ACIDA,B1B4K0.73
LEALEVULINIC ACIDM,P1VWK0.73
LEALEVULINIC ACIDP1VWQ0.73
LEALEVULINIC ACIDA1UK80.73
LEALEVULINIC ACIDM,P1VWL0.73
LEALEVULINIC ACIDM,P1VWI0.73
LEALEVULINIC ACIDA1B4E0.73
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.76
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.74
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.74
4MV4-METHYL VALERIC ACIDA2ECO0.74
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.74
4MV4-METHYL VALERIC ACIDA,B2COG0.74
TRCTRICARBALLYLIC ACIDA6ACN0.8
TRCTRICARBALLYLIC ACIDA,B2PW00.8
TRCTRICARBALLYLIC ACIDA5ACN0.8
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.74
GUAGLUTARIC ACIDA,B1JW00.81
GUAGLUTARIC ACIDA,B,C,D1B4N0.81
GUAGLUTARIC ACIDA1AMS0.81
GUAGLUTARIC ACIDA,B1XEY0.81
GUAGLUTARIC ACIDA1CZC0.81
GUAGLUTARIC ACIDA,B,C1IYD0.81
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.74
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.73
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.73