Ligand

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Ligand Name:   3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL
HET ID:   SAF PubChem:   445892
DrugBank:   DB04556 ChEMBL:   CHEMBL1235828
Canonical SMILES:   CN([C@H](c1cccc(c1)O)C)C
Standard InChI:   InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
Molecular Formula:   C10H15NO Mol. Weight:   165.2322 Heavy Atoms:   12
Charge:   0 Is Chiral:   True logP:   2.0148
HBD:   1 HBA:   2 TPSA:   23.47
#Bonds:   13 #Rotatable Bonds:   2 Shape Complexity:   0.4
Stereocomplexity:   0.1
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholinesterase P04058 (ACES_TETCF) Tetronarce californica 1GQR Ki : 700.0 nM BindingDB SHOW