Ligand name: ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide
PDB ligand accession: MBX
DrugBank: n/a
PubChem: 118987007
ChEMBL: n/a
InChI Key: NFJHNJQFJCYWCB-OALUTQOASA-N
SMILES: CC1CN(CC(O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyranopyridines
      • Subclass: None

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
5ENR	Download	Experimental	e5enrC1 e5enrC5	Alpha-beta plaits Alpha-beta plaits	LigPlot