Ligand Download |
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Ligand Name: (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane | ||
HET ID: TII | PubChem: 91754969 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(Oc1cncc(c1)N1CC[C@@]2(C1)CCCN2C)C | ||
Standard InChI: InChI=1S/C16H25N3O/c1-13(2)20-15-9-14(10-17-11-15)19-8-6-16(12-19)5-4-7-18(16)3/h9-11,13H,4-8,12H2,1-3H3/t16-/m1/s1 | ||
Molecular Formula: C16H25N3O | Mol. Weight: 275.3892 | Heavy Atoms: 20 |
Charge: 0 | Is Chiral: True | logP: 2.5462 |
HBD: 0 | HBA: 4 | TPSA: 28.6 |
#Bonds: 22 | #Rotatable Bonds: 3 | Shape Complexity: 0.6875 |
Stereocomplexity: 0.0625 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 4ZK4 |
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