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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02243449

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.71
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
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.83
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.87
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.79
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.79
4MV4-METHYL VALERIC ACIDA2ECO0.79
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.79
4MV4-METHYL VALERIC ACIDA,B2COG0.79
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.73
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.73
6NAHEXANOIC ACIDA,B2IX40.72
6NAHEXANOIC ACIDA,B2IWZ0.72
6NAHEXANOIC ACIDA2IQ00.72
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.72