Ligand Download |
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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 |