Ligand |
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| Ligand Name: 4-piperidinebutyric acid | ||
| Canonical SMILES: OC(=O)CCCN1CCCCC1 | ||
| Standard InChI: InChI=1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12) | ||
| HET Code: C1R | PubChem: 20794 | |
| DrugBank: - | ChEMBL: CHEMBL1401348 | |
| Molecular Formula: C9H17NO2 | Mol. Weight: 171.12593 | logP: 1.3371 |
| HBD: 1 | HBA: 2 | |
| #Rotatable Bonds: 4 | TPSA: 40.54 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | SER 195 | A | 18.48 | - | Carboxylic Acid |  |
Binding Affinity |
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