Ligand Download |
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Ligand Name: (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE | ||
HET ID: C5E | PubChem: 10235 | |
DrugBank: DB09028 | ChEMBL: CHEMBL497939 | |
Canonical SMILES: O=c1cccc2n1C[C@@H]1CNC[C@H]2C1 | ||
Standard InChI: InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 | ||
Molecular Formula: C11H14N2O | Mol. Weight: 190.24165 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: True | logP: 0.8838 |
HBD: 1 | HBA: 3 | TPSA: 34.03 |
#Bonds: 18 | #Rotatable Bonds: 0 | Shape Complexity: 0.54545456 |
Stereocomplexity: 0.18181819 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 4BQT | Kd : 1640.0 nM | PDBBind | SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 5SYO |
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SHOW |