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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02312170

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.76
0PAcyclopentylacetic acidA,B3DWR0.76
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.82
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.7
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.78
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.78
4MV4-METHYL VALERIC ACIDA2ECO0.78
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.78
4MV4-METHYL VALERIC ACIDA,B2COG0.78
NONMETHYL NONANOATE (ESTER)A1QQS0.7
NONMETHYL NONANOATE (ESTER)H1CLZ0.7
NONMETHYL NONANOATE (ESTER)H1CLY0.7
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
6NAHEXANOIC ACIDA,B2IX40.75
6NAHEXANOIC ACIDA,B2IWZ0.75
6NAHEXANOIC ACIDA2IQ00.75
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.7
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.7
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.7
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.7
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.7
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.78
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.74
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.72
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.72