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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02294700

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.78
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.78
GUAGLUTARIC ACIDA,B1JW00.73
GUAGLUTARIC ACIDA,B,C,D1B4N0.73
GUAGLUTARIC ACIDA1AMS0.73
GUAGLUTARIC ACIDA,B1XEY0.73
GUAGLUTARIC ACIDA1CZC0.73
GUAGLUTARIC ACIDA,B,C1IYD0.73
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.73
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.71
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.93
SHO5-HYDROXYLAEVULINIC ACIDA1W310.76
GCOGLUCONIC ACIDB,C,D1BGG0.71
GCOGLUCONIC ACIDA,B1XLF0.71
MEV(R)-MEVALONATEA,B1QAY0.82
MEV(R)-MEVALONATEA2HFU0.82
MEV(R)-MEVALONATEA,B1R310.82
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.73
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.78
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.78
CS2D-MANNONIC ACIDA,B,C,D2QJM0.71
CS2D-MANNONIC ACIDA,B3DBN0.71
ICTISOCITRIC ACIDA1IDE0.73
ICTISOCITRIC ACIDA,B2UXR0.73
ICTISOCITRIC ACIDA,B1XKD0.73
ICTISOCITRIC ACIDA8ICD0.73
ICTISOCITRIC ACIDA,B,D1XG40.73
ICTISOCITRIC ACIDA1CW70.73
ICTISOCITRIC ACIDA1GRO0.73
ICTISOCITRIC ACIDA1W8G0.73
ICTISOCITRIC ACIDA5ICD0.73
ICTISOCITRIC ACIDA,B1LWD0.73
ICTISOCITRIC ACIDA,B,C,D1ITW0.73
ICTISOCITRIC ACIDA,B,C,D1T0L0.73
ICTISOCITRIC ACIDA1PB10.73
ICTISOCITRIC ACIDA1GRP0.73
ICTISOCITRIC ACIDA1CW10.73
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.73
ICTISOCITRIC ACIDA1B0J0.73
ICTISOCITRIC ACIDA1W7F0.73
ICTISOCITRIC ACIDA7ACN0.73
ICTISOCITRIC ACIDA1C970.73
ICTISOCITRIC ACIDA1P8F0.73
ICTISOCITRIC ACIDA2CSG0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.7
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.7
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.7
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.77