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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02256890

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GCOGLUCONIC ACIDB,C,D1BGG0.78
GCOGLUCONIC ACIDA,B1XLF0.78
CS2D-MANNONIC ACIDA,B,C,D2QJM0.78
CS2D-MANNONIC ACIDA,B3DBN0.78
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.76
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.74
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.74
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.74
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.74
FUDD-fructoseA,B,C,D2QUN0.7
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.76
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.76
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.76
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.74
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.74
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.74
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.74
LGTL-GLUCARIC ACIDA,B,C,D3CB30.76
LGTL-GLUCARIC ACIDA,B,C2PP30.76
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.74
TAGD-tagatoseA,B,C,D2QUM0.7
RNSL-RHAMNOSEA,B,C,D1X8D0.72
RNSL-RHAMNOSEA,B,C,D1DE60.72
RNSL-RHAMNOSEA,B,C,D2I560.72
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.78
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.78
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.73
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.74
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.76
6NAHEXANOIC ACIDA,B2IX40.73
6NAHEXANOIC ACIDA,B2IWZ0.73
6NAHEXANOIC ACIDA2IQ00.73
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.72
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.72
GKRD-GLUCARATEA3CXT0.76
GKRD-GLUCARATEA,B1JCT0.76
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.7
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.74
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.8
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.78
MEV(R)-MEVALONATEA,B1QAY0.71
MEV(R)-MEVALONATEA2HFU0.71
MEV(R)-MEVALONATEA,B1R310.71
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.77
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.76
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.71
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.77
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.77