Ligand |
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| Ligand Name: URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | ||
| HET ID: UD1 | PubChem: 445675 | |
| DrugBank: DB03397 | ChEMBL: CHEMBL388154 | |
| Canonical SMILES: OC[C@H]1O[C@H](O[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C | ||
| Standard InChI: InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1 | ||
| Molecular Formula: C17H27N3O17P2 | Mol. Weight: 607.3537 | Heavy Atoms: 39 |
| Charge: 0 | Is Chiral: True | logP: -4.259 |
| HBD: 9 | HBA: 19 | TPSA: 325.48 |
| #Bonds: 51 | #Rotatable Bonds: 11 | Shape Complexity: 0.7058824 |
| Stereocomplexity: 0.64705884 | Ligand Type: Small Molecule | |
Binding Affinity |
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