Ligand Download |
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Ligand Name: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide | ||
HET ID: PQV | PubChem: 6415778 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: O/N=C/C(=O)NCCN1CCCCCC1 | ||
Standard InChI: InChI=1S/C10H19N3O2/c14-10(9-12-15)11-5-8-13-6-3-1-2-4-7-13/h9,15H,1-8H2,(H,11,14)/b12-9+ | ||
Molecular Formula: C10H19N3O2 | Mol. Weight: 213.27676 | Heavy Atoms: 15 |
Charge: 0 | Is Chiral: False | logP: 0.7674 |
HBD: 2 | HBA: 5 | TPSA: 64.93 |
#Bonds: 15 | #Rotatable Bonds: 5 | Shape Complexity: 0.8 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholinesterase | P22303 (ACES_HUMAN) | Homo sapiens | 6U34 |
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