Ligand |
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| Ligand Name: GUANOSINE-5'-MONOPHOSPHATE | ||
| Canonical SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O | ||
| Standard InChI: InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | ||
| HET Code: 5GP | PubChem: 135398631 | |
| DrugBank: DB01972 | ChEMBL: CHEMBL283807 | |
| Molecular Formula: C10H14N5O8P | Mol. Weight: 363.058 | logP: -2.5697 |
| HBD: 6 | HBA: 10 | |
| #Rotatable Bonds: 4 | TPSA: 206.04 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | HIS 404 | A | 24.42 | 0.97 | Phosphate |  |
Binding Affinity |
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