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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01742655

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,B3DZL0.73
0PAcyclopentylacetic acidA,B3DWR0.71
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.8
4AT5-OXOHEXANOIC ACIDA,B2EFY0.78
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE
A,B,C,D,E,F,
G,H,I,J,K,L
1SZO0.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.79
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.82
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.74
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
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
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.72
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.8
OHA10-oxohexadecanoic acidA,B,C,D2OD60.71