Ligand name: 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
PDB ligand accession: YFV
DrugBank: n/a
PubChem: 118008699
ChEMBL: n/a
InChI Key: XEPJRTLAIQBJBK-UHFFFAOYSA-N
SMILES: CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolotriazines
      • Subclass: Pyrrolo[2,1-f][1,2,4]triazines

List of PDB structures and/or AlphaFold models with target protein Q2M2I8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8GMC	Download	Experimental	e8gmcA1 e8gmcA1 e8gmcB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot