Ligand |
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| Ligand Name: 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine | ||
| HET ID: UNP | PubChem: 71604315 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@@H]1[C@@H](CO[P@@](=O)(O[P@@](=O)(NP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C9H16N3O14P3/c13-5-1-2-12(9(16)10-5)8-7(15)6(14)4(25-8)3-24-29(22,23)26-28(20,21)11-27(17,18)19/h1-2,4,6-8,14-15H,3H2,(H,22,23)(H,10,13,16)(H4,11,17,18,19,20,21)/t4-,6-,7-,8-/m1/s1 | ||
| Molecular Formula: C9H16N3O14P3 | Mol. Weight: 483.1563 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: True | logP: -2.537 |
| HBD: 8 | HBA: 16 | TPSA: 296.6 |
| #Bonds: 35 | #Rotatable Bonds: 8 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.6666667 | Ligand Type: Small Molecule | |
Binding Affinity |
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