Ligand

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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