Ligand name: (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide
PDB ligand accession: OOS
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL4065334
InChI Key: HHDXSZQPSZPOBP-MCEYFSPLSA-N
SMILES: CC(C)CC(C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P08631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5H0E	Download	Experimental	e5h0eA3	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot