Ligand |
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Ligand Name: 3,4-Epoxybutyl beta-D-Cellobioside | ||
Ligand Type: saccharide | ||
Ligand ID: COVPDB949 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)OCC[C@H]3CO3 | ||
Standard InChI: InChI=1S/C17H30O11/c18-4-10-8(3-9-13(21)15(23)14(22)11(5-19)27-9)12(20)16(24)17(28-10)25-2-1-7-6-26-7/h7-24H,1-6H2/t7-,8+,9-,10+,11+,12-,13-,14+,15+,16+,17+/m0/s1 | ||
Molecular Formula: C17H30O11 | Mol. Weight: 410.1788 | logP: -3.9204 |
HBD: 7 | HBA: 11 | |
#Rotatable Bonds: 8 | TPSA: 181.83 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Endoglucanase type C | P46237 (GUNC_FUSOX) | Fusarium oxysporum (Fusarium vascular wilt) | 4OVW | IN1 |
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SHOW |