Ligand |
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| Ligand Name: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine | ||
| HET ID: 0KX | PubChem: 465708 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1CO[P@@](=O)(N[P@](=O)(OP(=O)(O)O)O)O)n1ccc(nc1=O)N | ||
| Standard InChI: InChI=1S/C9H17N4O12P3/c10-7-1-2-13(9(15)11-7)8-3-5(14)6(24-8)4-23-26(16,17)12-27(18,19)25-28(20,21)22/h1-2,5-6,8,14H,3-4H2,(H2,10,11,15)(H2,20,21,22)(H3,12,16,17,18,19)/t5-,6+,8+/m0/s1 | ||
| Molecular Formula: C9H17N4O12P3 | Mol. Weight: 466.17215 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: True | logP: -0.6377 |
| HBD: 7 | HBA: 16 | TPSA: 282.42 |
| #Bonds: 32 | #Rotatable Bonds: 8 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.5555556 | Ligand Type: Small Molecule | |
Binding Affinity |
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