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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03408774

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
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.79
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.79
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.79
AAEACETOACETIC ACIDA,B,C,D3EEW0.7
AAEACETOACETIC ACIDA1FCP0.7
AAEACETOACETIC ACIDA1UJW0.7
AAEACETOACETIC ACIDA,B1QCO0.7
AAEACETOACETIC ACIDA,B,C,D,L1E3W0.7
AAEACETOACETIC ACIDA,B1YSL0.7
AAEACETOACETIC ACIDA2FCP0.7
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
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.71
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.76
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.76
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.76
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.71
LMLISOBUTYL MALONIC ACIDA1BFW0.81
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.78
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.72
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.72
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.85
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.72
0PAcyclopentylacetic acidA,B3DWR0.72
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.72