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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03446552

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.83
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.71
TRCTRICARBALLYLIC ACIDA6ACN0.81
TRCTRICARBALLYLIC ACIDA,B2PW00.81
TRCTRICARBALLYLIC ACIDA5ACN0.81
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.82
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.82
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.7
MICALPHA-METHYLISOCITRIC ACIDA1AMI0.73
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.72
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.72
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.72
LMLISOBUTYL MALONIC ACIDA1BFW0.74
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.79
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.79
4MV4-METHYL VALERIC ACIDA2ECO0.79
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.79
4MV4-METHYL VALERIC ACIDA,B2COG0.79
SHFLAEVULINIC ACIDA1YLV0.71
SHFLAEVULINIC ACIDA1H7N0.71
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.71
IPM3-ISOPROPYLMALIC ACIDA,B1A050.73
IPM3-ISOPROPYLMALIC ACIDA1HJ60.73
SIF3-TRIMETHYLSILYLSUCCINIC ACIDA,B1FUQ0.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.7