Ligand

Download

Ligand Name:   2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM
HET ID:   CCE PubChem:   2551
DrugBank:   DB00411 ChEMBL:   CHEMBL965
Canonical SMILES:   NC(=O)OCC[N+](C)(C)C
Standard InChI:   InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
Molecular Formula:   C6H15N2O2+ Mol. Weight:   147.1955 Heavy Atoms:   10
Charge:   1 Is Chiral:   False logP:   0.4882
HBD:   1 HBA:   3 TPSA:   52.32
#Bonds:   9 #Rotatable Bonds:   4 Shape Complexity:   0.8333333
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 1UV6 Kd : 7575.0 nM PDBBind SHOW
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 1UV6 Kd : 7575.0 nM Binding MOAD SHOW