Ligand |
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| Ligand Name: 6-AMINOHEXANOIC ACID | ||
| HET ID: ACA | PubChem: 517030564 | |
| DrugBank: DB00513 | ChEMBL: CHEMBL1046 | |
| Canonical SMILES: NCCCCCC(=O)O | ||
| Standard InChI: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) | ||
| Molecular Formula: C6H13NO2 | Mol. Weight: 131.17291 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: False | logP: 1.2904 |
| HBD: 2 | HBA: 3 | TPSA: 63.32 |
| #Bonds: 8 | #Rotatable Bonds: 5 | Shape Complexity: 0.8333333 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 11000 nM |
| BindingDB | IC50 : 40000 nM, IC50 : 105000 nM |
| Binding MOAD | Kd : 11000 nM |