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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01535456

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.71
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.7
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.7
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.7
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.7
GCOGLUCONIC ACIDB,C,D1BGG0.78
GCOGLUCONIC ACIDA,B1XLF0.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.7
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.7
SHVHEPTANOIC ACIDA1PO80.71
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.81
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.71
CS2D-MANNONIC ACIDA,B,C,D2QJM0.78
CS2D-MANNONIC ACIDA,B3DBN0.78
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.75
MEV(R)-MEVALONATEA,B1QAY0.7
MEV(R)-MEVALONATEA2HFU0.7
MEV(R)-MEVALONATEA,B1R310.7
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.76
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.76
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.76
LGTL-GLUCARIC ACIDA,B,C,D3CB30.76
LGTL-GLUCARIC ACIDA,B,C2PP30.76
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.72
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.83
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.81
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
SHO5-HYDROXYLAEVULINIC ACIDA1W310.79
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.71
4AT5-OXOHEXANOIC ACIDA,B2EFY0.76
GKRD-GLUCARATEA3CXT0.76
GKRD-GLUCARATEA,B1JCT0.76
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.8
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.78
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.7
6NAHEXANOIC ACIDA,B2IX40.77
6NAHEXANOIC ACIDA,B2IWZ0.77
6NAHEXANOIC ACIDA2IQ00.77
EKE(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACIDA,I2HAL0.72