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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02861681

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.79
SHVHEPTANOIC ACIDA1PO80.71
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.7
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.72
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.72
0PAcyclopentylacetic acidA,B3DWR0.78
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.8
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.8
4MV4-METHYL VALERIC ACIDA2ECO0.8
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.8
4MV4-METHYL VALERIC ACIDA,B2COG0.8
6NAHEXANOIC ACIDA,B2IX40.77
6NAHEXANOIC ACIDA,B2IWZ0.77
6NAHEXANOIC ACIDA2IQ00.77
LMLISOBUTYL MALONIC ACIDA1BFW0.7
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.74
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.74
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.72
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.74