Ligand |
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| Ligand Name: D-PHENYLALANINE | ||
| Canonical SMILES: N[C@H](Cc1ccccc1)C(O)=O | ||
| Standard InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1 | ||
| HET Code: DPN | PubChem: 71567 | |
| DrugBank: DB02556 | ChEMBL: CHEMBL379630 | |
| Molecular Formula: C9H11NO2 | Mol. Weight: 165.07898 | logP: 0.641 |
| HBD: 2 | HBA: 2 | |
| #Rotatable Bonds: 3 | TPSA: 63.32 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | SER 60 | E | 14.07 | - | Carboxylic Acid |  |
Binding Affinity |
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