Ligand Download |
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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 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 4UM3 | Ki : 1.3 nM | BindingDB | SHOW |