PDB Entry (6sh0)

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Visualizer: MichelaNGLo

PDB ID: 6sh0 Resolution: 2.5 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Soluble acetylcholine receptor
Protein Class: SIGNALING PROTEIN
Uniprot ID/ACC: Q8WSF8 (Q8WSF8_APLCA) Organism: Aplysia californica
Gene Symbol: - Gene ID: 100533247
Pocket Descriptors
Volume: 126.016 Depth: 19.3102
Hydrophobicity: 0.706522 Drug Score: 0.00000633365
Pocket Similarity: Calculate
Ligand
Ligand Name:   1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
HET ID:   4P0 PubChem:   3034748
DrugBank:   - ChEMBL:   CHEMBL2332144
Canonical SMILES:   CC(=O)C1=CCC[C@H]2N[C@@H]1CC2
Standard InChI:   InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
Molecular Formula:   C10H15NO Mol. Weight:   165.2322 Heavy Atoms:   12
Charge:   0 Is Chiral:   True logP:   1.745
HBD:   1 HBA:   2 TPSA:   29.1
#Bonds:   15 #Rotatable Bonds:   1 Shape Complexity:   0.7
Stereocomplexity:   0.2 Ligand Type:   Small Molecule
Binding Affinity
-