Ligand

Download

Ligand Name:   2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol
HET ID:   RM0 PubChem:   135567430
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C1COCCN1CCCCCC2=NC(=C(C=C2)O)C=NO
Standard InChI:   InChI=1S/C15H23N3O3/c19-15-6-5-13(17-14(15)12-16-20)4-2-1-3-7-18-8-10-21-11-9-18/h5-6,12,19-20H,1-4,7-11H2
Molecular Formula:   C15H23N3O3 Mol. Weight:   293.36142 Heavy Atoms:   21
Charge:   0 Is Chiral:   False logP:   1.5782
HBD:   2 HBA:   6 TPSA:   78.18
#Bonds:   22 #Rotatable Bonds:   7 Shape Complexity:   0.6
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholinesterase P04058 (ACES_TETCF) Tetronarce californica 6EWK
-
-
SHOW