Ligand name: 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea
PDB ligand accession: FW8
DrugBank: n/a
PubChem: 138320049
ChEMBL: CHEMBL4443468
InChI Key: BNBWNJAILLASJW-PMERELPUSA-N
SMILES: c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6C8CCCCN8C7=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Benzoquinolines

List of PDB structures and/or AlphaFold models with target protein P04058

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6H14	Download	Experimental	e6h14A1 e6h14B1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot