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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02423238

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPM3-ISOPROPYLMALIC ACIDA,B1A050.71
IPM3-ISOPROPYLMALIC ACIDA1HJ60.71
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.8
SHO5-HYDROXYLAEVULINIC ACIDA1W310.78
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.8
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.91
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.91
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
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.8
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.8
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.8
6NAHEXANOIC ACIDA,B2IX40.71
6NAHEXANOIC ACIDA,B2IWZ0.71
6NAHEXANOIC ACIDA2IQ00.71
BUQ4-HYDROXY-2-BUTANONEA,B1D7J0.72
LEALEVULINIC ACIDP1VWR0.77
LEALEVULINIC ACIDM,P1VWJ0.77
LEALEVULINIC ACIDA,B1W1Z0.77
LEALEVULINIC ACIDA,B1B4K0.77
LEALEVULINIC ACIDM,P1VWK0.77
LEALEVULINIC ACIDP1VWQ0.77
LEALEVULINIC ACIDA1UK80.77
LEALEVULINIC ACIDM,P1VWL0.77
LEALEVULINIC ACIDM,P1VWI0.77
LEALEVULINIC ACIDA1B4E0.77
SHFLAEVULINIC ACIDA1YLV0.74
SHFLAEVULINIC ACIDA1H7N0.74
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.76
3PB(3R)-3-(phosphonooxy)butanoic acidA,B,C,D,E,F3FG80.74
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.72
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.72
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.74
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.71
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.87
3OH3-HYDROXY-PROPANOIC ACIDA1M330.71
LMLISOBUTYL MALONIC ACIDA1BFW0.73
MEV(R)-MEVALONATEA,B1QAY0.81
MEV(R)-MEVALONATEA2HFU0.81
MEV(R)-MEVALONATEA,B1R310.81
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.76
THETHREONATE IONA1XIJ0.71