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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03446547

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LMLISOBUTYL MALONIC ACIDA1BFW0.83
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.8
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.76
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.76
HLUBETA-HYDROXYLEUCINEA1ROV0.74
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.77
IPM3-ISOPROPYLMALIC ACIDA,B1A050.8
IPM3-ISOPROPYLMALIC ACIDA1HJ60.8
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.81
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.73
SHO5-HYDROXYLAEVULINIC ACIDA1W310.71
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.84
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.84
VADDEAMINOHYDROXYVALINEC1CWO0.74
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.73
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
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.73
MEV(R)-MEVALONATEA,B1QAY0.82
MEV(R)-MEVALONATEA2HFU0.82
MEV(R)-MEVALONATEA,B1R310.82
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.79
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.82
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.82
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
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.73
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.73
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.7