Ligand

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Ligand Name:   3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
HET ID:   0VC PubChem:   56951495
DrugBank:   - ChEMBL:   CHEMBL2024094
Canonical SMILES:   COCC[C@H]1C[C@@H]1c1cncc(c1)OC[C@@H]1CCN1
Standard InChI:   InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1
Molecular Formula:   C15H22N2O2 Mol. Weight:   262.34738 Heavy Atoms:   19
Charge:   0 Is Chiral:   True logP:   2.2911
HBD:   1 HBA:   4 TPSA:   43.38
#Bonds:   24 #Rotatable Bonds:   7 Shape Complexity:   0.6666667
Stereocomplexity:   0.2
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Soluble acetylcholine receptor Q8WSF8 (Q8WSF8_APLCA) Aplysia californica 4FRR
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