Ligand name: 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PDB ligand accession: G2X
DrugBank: DB12533
PubChem: 11488110
ChEMBL: CHEMBL1182714
InChI Key: ZUZPCOQWSYNWLU-VIFPVBQESA-N
SMILES: CC(C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein A0A287AGU7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7CLD	Download	Experimental	e7cldC1 e7cldB1 e7cldC1 e7cldC2 e7cldD1	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like	LigPlot
7DP8	Download	Experimental	e7dp8C1 e7dp8C2 e7dp8D2	Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like	LigPlot