Ligand |
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| Ligand Name: CF021 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB296 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC[C@@H]([C@@H]([C@H]12)N2)[C@@H](O)[C@H](O)[C@H]1O | ||
| Standard InChI: InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4+,5+,6-,7-/m0/s1 | ||
| Molecular Formula: C7H13NO4 | Mol. Weight: 175.08446 | logP: -2.9684 |
| HBD: 5 | HBA: 5 | |
| #Rotatable Bonds: 1 | TPSA: 102.86 | |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
| Oligosaccharide 4-alpha-D-glucosyltransferase | B3PEE6 (OL4AG_CELJU) | Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa) | 5I24 | 66U | IC50 : 37.8 nM | PDBBind | SHOW |
| Glucosylceramidase | F6BL85 (F6BL85_THEXL) | Thermoanaerobacterium xylanolyticum (strain ATCC 49914 / DSM 7097 / LX-11) | 5NCX | K35 |
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SHOW |