Ligand Download |
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Ligand Name: (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine | ||
HET ID: XRS | PubChem: 70701321 | |
DrugBank: - | ChEMBL: CHEMBL2312565 | |
Canonical SMILES: CN([C@@H](CCOc1nccn1C)C)C | ||
Standard InChI: InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1 | ||
Molecular Formula: C10H19N3O | Mol. Weight: 197.27736 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: True | logP: 1.1391 |
HBD: 0 | HBA: 4 | TPSA: 30.29 |
#Bonds: 15 | #Rotatable Bonds: 5 | Shape Complexity: 0.7 |
Stereocomplexity: 0.1 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 3ZDH | Ki : 45.0 nM | PDBBind | SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 3ZDH | Ki : 45.0 nM | BindingDB | SHOW |
Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 3ZDH | Ki : 45.0 nM | Binding MOAD | SHOW |