Ligand |
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| Ligand Name: 2'-deoxy-2'-fluoro-6-iodo-UMP | ||
| Canonical SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1F)n1c(I)cc(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C9H11FIN2O8P/c10-6-7(15)3(2-20-22(17,18)19)21-8(6)13-4(11)1-5(14)12-9(13)16/h1,3,6-8,15H,2H2,(H,12,14,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1 | ||
| HET Code: UFT | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C9H11FIN2O8P | Mol. Weight: 451.9282 | logP: -1.1531 |
| HBD: 4 | HBA: 7 | |
| #Rotatable Bonds: 4 | TPSA: 151.08 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Aromatic Substitution | LYS 138 | A | 15.18 | 9.02 | Aryl Halide |  |
Binding Affinity |
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