Ligand |
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| Ligand Name: 1-(6-bromopyridin-3-yl)-1,4-diazepane | ||
| HET ID: 09R | PubChem: 10131290 | |
| DrugBank: - | ChEMBL: CHEMBL306387 | |
| Canonical SMILES: Brc1ccc(cn1)N1CCNCCC1 | ||
| Standard InChI: InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2 | ||
| Molecular Formula: C10H14BrN3 | Mol. Weight: 256.14227 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 2.0376 |
| HBD: 1 | HBA: 3 | TPSA: 28.16 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | Ki : 1.2999999523162842 nM |