Ligand name: 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PDB ligand accession: 5QF
DrugBank: n/a
PubChem: 86281621
ChEMBL: CHEMBL3400632
InChI Key: PJMAUCHUUURBGI-UHFFFAOYSA-N
SMILES: CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P31224

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ENP	Download	Experimental	e5enpC1 e5enpC5	Alpha-beta plaits Alpha-beta plaits	LigPlot
5NG5	Download	Experimental	e5ng5K2 e5ng5K4 e5ng5K6 e5ng5L3 e5ng5L6 e5ng5L8 e5ng5J1 e5ng5J2 e5ng5J5	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot