Ligand

Download

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
-
-
SHOW