Ligand |
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| Ligand Name: (S)-4-amino-4,5-dihydro-2-furancarboxylic acid | ||
| Canonical SMILES: N[C@@H]1COC(=C1)C(O)=O | ||
| Standard InChI: InChI=1S/C5H7NO3/c6-3-1-4(5(7)8)9-2-3/h1,3H,2,6H2,(H,7,8)/t3-/m0/s1 | ||
| HET Code: PJ7 | PubChem: 13355201 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C5H7NO3 | Mol. Weight: 129.04259 | logP: -0.6876 |
| HBD: 2 | HBA: 3 | |
| #Rotatable Bonds: 1 | TPSA: 72.55 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Michael Addition | LYS 246 | A | 36.87 | 8.49 | Vinyl Carbonyl |  |
Binding Affinity |
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