Ligand Download |
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Ligand Name: methyl 2-thio-beta-D-glucopyranoside | ||
HET ID: U2A | PubChem: 132600593 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1S)O)O | ||
Standard InChI: InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 | ||
Molecular Formula: C7H14O5S | Mol. Weight: 210.24806 | Heavy Atoms: 13 |
Charge: 0 | Is Chiral: True | logP: -1.6298 |
HBD: 4 | HBA: 6 | TPSA: 117.95 |
#Bonds: 18 | #Rotatable Bonds: 2 | Shape Complexity: 1.0 |
Stereocomplexity: 0.71428573 |
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 | 6JG7 |
- |
- |
SHOW |
barley exohydrolaseI W434F mutant | A0A287SCR5 (A0A287SCR5_HORVV) | Hordeum vulgare | 6JGG |
- |
- |
SHOW |
barley exohydrolaseI W434F mutant | A0A287SCR5 (A0A287SCR5_HORVV) | Hordeum vulgare | 6JGQ |
- |
- |
SHOW |
barley exohydrolaseI W434F mutant | A0A287SCR5 (A0A287SCR5_HORVV) | Hordeum vulgare | 6JGL |
- |
- |
SHOW |