Ligand |
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| Ligand Name: Glutamatic acid | ||
| Canonical SMILES: N[C@@H](CCC(O)=O)C(O)=O | ||
| Standard InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 | ||
| HET Code: GLJ | PubChem: 33032 | |
| DrugBank: DB02517 | ChEMBL: CHEMBL575060 | |
| Molecular Formula: C5H9NO4 | Mol. Weight: 147.05316 | logP: -0.7369 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 100.62 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | SER 1 | B | 13.64 | - | Carboxylic Acid |  |
Binding Affinity |
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