Ligand name: 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol
PDB ligand accession: 13V
DrugBank: n/a
PubChem: 58221375
ChEMBL: CHEMBL2334589
InChI Key: ZZIZLABGKZWVAW-UHFFFAOYSA-N
SMILES: CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of PDB structures and/or AlphaFold models with target protein Q99558

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IDV	Download	Experimental	e4idvA1 e4idvB2 e4idvC2 e4idvD2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot