|
Ligand Download |
||
 | ||
| Ligand Name: 4-thio-beta-D-glucopyranose | ||
| HET ID: SGC | PubChem: 445564 | |
| DrugBank: DB03584 | ChEMBL: CHEMBL1233121 | |
| Canonical SMILES: C(C1C(C(C(C(O1)O)O)O)S)O | ||
| Standard InChI: InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2 | ||
| Molecular Formula: C6H12O5S | Mol. Weight: 196.22148 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: -2.2839 |
| HBD: 5 | HBA: 6 | TPSA: 128.95 |
| #Bonds: 12 | #Rotatable Bonds: 1 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.8333333 | ||
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
| barley exohydrolaseI W434F mutant | A0A287SCR5 (A0A287SCR5_HORVV) | Hordeum vulgare | 6JGO |
- |
- |
SHOW |
| barley exohydrolaseI W434F mutant | A0A287SCR5 (A0A287SCR5_HORVV) | Hordeum vulgare | 6JGS |
- |
- |
SHOW |
| barley exohydrolaseI W434F mutant | A0A287SCR5 (A0A287SCR5_HORVV) | Hordeum vulgare | 6JG1 |
- |
- |
SHOW |