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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233993

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SHVHEPTANOIC ACIDA1PO80.71
LAF5-FLUOROLEVULINIC ACIDA,B1GZG0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.8
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.8
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.8
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.8
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.8
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.71
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.78
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.78
SHFLAEVULINIC ACIDA1YLV0.79
SHFLAEVULINIC ACIDA1H7N0.79
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.7
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.7
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.72
4OX4-OXODECANEDIOIC ACIDA1GJP0.72
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.74
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
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
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.73
DSB4,7-DIOXOSEBACIC ACIDA1EB30.73
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.73
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.73
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.82
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.73
4AT5-OXOHEXANOIC ACIDA,B2EFY0.76
0PAcyclopentylacetic acidA,B3DWR0.73
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.7
6NAHEXANOIC ACIDA,B2IX40.77
6NAHEXANOIC ACIDA,B2IWZ0.77
6NAHEXANOIC ACIDA2IQ00.77
LMLISOBUTYL MALONIC ACIDA1BFW0.7
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.75
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.77