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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02877347

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.75
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.76
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.79
OHA10-oxohexadecanoic acidA,B,C,D2OD60.7
4AT5-OXOHEXANOIC ACIDA,B2EFY0.85
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.78
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.78
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.77
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.73
6NAHEXANOIC ACIDA,B2IX40.73
6NAHEXANOIC ACIDA,B2IWZ0.73
6NAHEXANOIC ACIDA2IQ00.73
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.76
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.76
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.76
4MV4-METHYL VALERIC ACIDA2ECO0.76
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.76
4MV4-METHYL VALERIC ACIDA,B2COG0.76
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.7
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.7
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.85
0PAcyclopentylacetic acidA,B3DWR0.74
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.74