Ligand name: 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
PDB ligand accession: LWH
DrugBank: n/a
PubChem: 135566382
ChEMBL: CHEMBL1234108
InChI Key: DZNFGQDAMCNMLC-AWEZNQCLSA-N
SMILES: c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)NC5CCNC5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O96017

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XM9	Download	Experimental	e2xm9A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot