Ligand name: 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
PDB ligand accession: A4E
DrugBank: n/a
PubChem: 134611691
ChEMBL: n/a
InChI Key: YCXOHEXZVKOGEV-DNRQZRRGSA-O
SMILES: CC1CN(C(C[NH2+]1)CN2CCOCC2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of proteins that are targets for A4E

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P98170_A4E	P98170	n/a