Ligand name: (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
PDB ligand accession: ZRR
DrugBank: n/a
PubChem: 118009188
ChEMBL: CHEMBL4541595
InChI Key: CNACSDYVLFCDEW-UHFFFAOYSA-N
SMILES: CC(C)n1nc(nn1)c2cc(cc(c2)O)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Tetrazoles

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
8GMD	Download	Experimental	e8gmdA1 e8gmdB1 e8gmdA1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot