Ligand

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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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