Ligand name: 4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
PDB ligand accession: Q0H
DrugBank: n/a
PubChem: 155907509
ChEMBL: n/a
InChI Key: XIBXZPKIDAMNCF-UHFFFAOYSA-N
SMILES: c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)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 B1MHW4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6YYD	Download	Experimental	e6yydA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot