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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03446279

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0PAcyclopentylacetic acidA,B3DWR0.76
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.87
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.78
6NAHEXANOIC ACIDA,B2IX40.71
6NAHEXANOIC ACIDA,B2IWZ0.71
6NAHEXANOIC ACIDA2IQ00.71
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
OHA10-oxohexadecanoic acidA,B,C,D2OD60.72
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.77
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.81
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.75
SHVHEPTANOIC ACIDA1PO80.7
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.77
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.77
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.77
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.74
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.77
4AT5-OXOHEXANOIC ACIDA,B2EFY0.83
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.72
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.75
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.75
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.75
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.75
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.75