Ligand |
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| Ligand Name: Oxanosine monophosphate | ||
| Canonical SMILES: Nc1nc2n(cnc2c(=O)o1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O | ||
| Standard InChI: InChI=1S/C10H13N4O9P/c11-10-13-7-4(9(17)23-10)12-2-14(7)8-6(16)5(15)3(22-8)1-21-24(18,19)20/h2-3,5-6,8,15-16H,1H2,(H2,11,13)(H2,18,19,20)/t3-,5-,6-,8-/m1/s1 | ||
| HET Code: JQS | PubChem: 477551 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C10H13N4O9P | Mol. Weight: 364.04202 | logP: -2.3048 |
| HBD: 5 | HBA: 11 | |
| #Rotatable Bonds: 4 | TPSA: 203.39 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Ring Opening | CYS 308 | A | 38.14 | 10.4 | 1,3‐Oxazin‐6‐one |  |
Binding Affinity |
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