Ligand |
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| Ligand Name: 5-aminolaevulinic acid | ||
| Canonical SMILES: NCC(=O)CCC(O)=O | ||
| Standard InChI: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) | ||
| HET Code: DAV | PubChem: 137 | |
| DrugBank: DB00855 | ChEMBL: CHEMBL601 | |
| Molecular Formula: C5H9NO3 | Mol. Weight: 131.05824 | logP: -0.621 |
| HBD: 2 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 80.39 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imine Condensation | LYS 263 | A | 11.15 | 4.55 | Ketone |  |
Binding Affinity |
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