Ligand |
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| Ligand Name: {[(1E)-4-amino-3-oxopenta-1,4-dien-1-yl]oxy}phosphonic acid | ||
| Canonical SMILES: NC(=C)C(=O)\C=C\OP(O)(O)=O | ||
| Standard InChI: InChI=1S/C5H8NO5P/c1-4(6)5(7)2-3-11-12(8,9)10/h2-3H,1,6H2,(H2,8,9,10)/b3-2+ | ||
| HET Code: KPR | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C5H8NO5P | Mol. Weight: 193.014 | logP: -0.3491 |
| HBD: 3 | HBA: 4 | |
| #Rotatable Bonds: 4 | TPSA: 109.85 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Michael Addition | LYS 98 | A | 9.18 | 8.69 | Vinyl Carbonyl |  |
Binding Affinity |
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