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.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
GLR | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE | A,B,C,D | 1EC8 | 0.71 | |
GLR | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE | A,B,C,D | 1JDF | 0.71 | |
LGC | (3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE | M | 1E6X | 0.7 | |
LGC | (3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE | A,B | 2E40 | 0.7 | |
LGC | (3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE | A | 2VWG | 0.7 | |
LGC | (3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE | A,B | 3EQO | 0.7 | |
GCO | GLUCONIC ACID | B,C,D | 1BGG | 0.78 | |
GCO | GLUCONIC ACID | A,B | 1XLF | 0.78 | |
149 | D-GALCTOPYRANOSYL-1-ON | A,B,C,D | 1JZ5 | 0.7 | |
149 | D-GALCTOPYRANOSYL-1-ON | A,B,C,D | 3CZJ | 0.7 | |
SHV | HEPTANOIC ACID | A | 1PO8 | 0.71 | |
SSH | 3-DEOXY-D-ARABINO-HEXONIC ACID | A,B,C,D | 1W3N | 0.81 | |
HOC | (2S)-2-HYDROXYOCTANOIC ACID | A | 2A85 | 0.71 | |
CS2 | D-MANNONIC ACID | A,B,C,D | 2QJM | 0.78 | |
CS2 | D-MANNONIC ACID | A,B | 3DBN | 0.78 | |
3HG | 3-HYDROXYPENTANEDIOIC ACID | A,B,C,D,E,F | 2CW6 | 0.75 | |
MEV | (R)-MEVALONATE | A,B | 1QAY | 0.7 | |
MEV | (R)-MEVALONATE | A | 2HFU | 0.7 | |
MEV | (R)-MEVALONATE | A,B | 1R31 | 0.7 | |
KDG | 2-KETO-3-DEOXYGLUCONATE | A,B | 1V1A | 0.76 | |
KDG | 2-KETO-3-DEOXYGLUCONATE | A,B,C | 2VAR | 0.76 | |
KDG | 2-KETO-3-DEOXYGLUCONATE | A,B,C,D | 2QJN | 0.76 | |
LGT | L-GLUCARIC ACID | A,B,C,D | 3CB3 | 0.76 | |
LGT | L-GLUCARIC ACID | A,B,C | 2PP3 | 0.76 | |
GCT | 4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID | A | 1RWG | 0.72 | |
GCT | 4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID | A | 1RWF | 0.72 | |
GCT | 4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID | A | 1RWH | 0.72 | |
HXD | (3R)-3-HYDROXYDODECANOIC ACID | A | 2DDH | 0.73 | |
3LR | 3,6-dideoxy-L-arabino-hexonic acid | A,B | 3CXO | 0.83 | |
RSH | 3-DEOXY-D-LYXO-HEXONIC ACID | A,B,C,D | 1W3T | 0.81 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFF | 0.73 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QJQ | 0.73 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B | 2GRX | 0.73 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QFG | 0.73 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1QKC | 0.73 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A | 1FI1 | 0.73 | |
FTT | 3-HYDROXY-TETRADECANOIC ACID | A,B,C,D | 3FXI | 0.73 | |
SHO | 5-HYDROXYLAEVULINIC ACID | A | 1W31 | 0.79 | |
12H | 12-HYDROXYDODECANOIC ACID | A,B | 1M6W | 0.71 | |
4AT | 5-OXOHEXANOIC ACID | A,B | 2EFY | 0.76 | |
GKR | D-GLUCARATE | A | 3CXT | 0.76 | |
GKR | D-GLUCARATE | A,B | 1JCT | 0.76 | |
LFC | 6-DEOXY-L-GALACTONIC ACID | A | 2HXU | 0.8 | |
DXG | 4-DEOXYGLUCARATE | A,B,C,D | 1ECQ | 0.78 | |
GVM | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID | A,B | 2UW1 | 0.7 | |
6NA | HEXANOIC ACID | A,B | 2IX4 | 0.77 | |
6NA | HEXANOIC ACID | A,B | 2IWZ | 0.77 | |
6NA | HEXANOIC ACID | A | 2IQ0 | 0.77 | |
EKE | (4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACID | A,I | 2HAL | 0.72 |