PDB Entry (6sh0) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6sh0 | Resolution: 2.5 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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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 |
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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 |
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