Ligand

Download

Ligand Name:   (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
HET ID:   TI4 PubChem:   91808049
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccc(cn1)[C@H]1[C@@H]2C[C@@H]3CN1C[C@H](C2)C3
Standard InChI:   InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13-,14-/m0/s1
Molecular Formula:   C14H18N2 Mol. Weight:   214.30612 Heavy Atoms:   16
Charge:   0 Is Chiral:   True logP:   2.4223
HBD:   0 HBA:   2 TPSA:   16.13
#Bonds:   23 #Rotatable Bonds:   1 Shape Complexity:   0.64285713
Stereocomplexity:   0.35714287
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Soluble acetylcholine receptor Q8WSF8 (Q8WSF8_APLCA) Aplysia californica 5BRX
-
-
SHOW