Ligand Download |
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Ligand Name: 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE | ||
HET ID: VU3 | PubChem: 5013705 | |
DrugBank: - | ChEMBL: CHEMBL1831032 | |
Canonical SMILES: c1ccc(cc1)C1CCN(CC1)CCc1cc2c([nH]1)cccc2 | ||
Standard InChI: InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2 | ||
Molecular Formula: C21H24N2 | Mol. Weight: 304.42865 | Heavy Atoms: 23 |
Charge: 0 | Is Chiral: False | logP: 4.5279 |
HBD: 1 | HBA: 1 | TPSA: 19.03 |
#Bonds: 27 | #Rotatable Bonds: 4 | Shape Complexity: 0.33333334 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 2XNV | Ki : 5000.0 nM | Binding MOAD | SHOW |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 2XNU |
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SHOW |