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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01742842

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
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.76
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.76
0PAcyclopentylacetic acidA,B3DWR0.76
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.76
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
TRCTRICARBALLYLIC ACIDA6ACN0.71
TRCTRICARBALLYLIC ACIDA,B2PW00.71
TRCTRICARBALLYLIC ACIDA5ACN0.71
SHFLAEVULINIC ACIDA1YLV0.78
SHFLAEVULINIC ACIDA1H7N0.78
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.84
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
4AT5-OXOHEXANOIC ACIDA,B2EFY0.7
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.76
6NAHEXANOIC ACIDA,B2IX40.71
6NAHEXANOIC ACIDA,B2IWZ0.71
6NAHEXANOIC ACIDA2IQ00.71
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.76
DSB4,7-DIOXOSEBACIC ACIDA1EB30.76
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.76
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.76
OHA10-oxohexadecanoic acidA,B,C,D2OD60.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.7
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.75
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.85
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.74
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.74
4OX4-OXODECANEDIOIC ACIDA1GJP0.74
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.73