Ligand name: (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
PDB ligand accession: R5D
DrugBank: n/a
PubChem: 146018273
ChEMBL: CHEMBL4644138
InChI Key: OCNRQCROIYCWQL-QULAYQROSA-N
SMILES: c1c(cn(n1)CCO)Nc2ncc(c(n2)N3CC4CC4(C3)NC(=O)C5CC5C#N)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein P29597

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VNS	Download	Experimental	e6vnsA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot