Ligand name: 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one
PDB ligand accession: ZB9
DrugBank: n/a
PubChem: 86706444
ChEMBL: CHEMBL5276931
InChI Key: RXWBGONJVWQVFN-MRXNPFEDSA-N
SMILES: CN(c1c2cc[nH]c2ncn1)C3CCCN(C3)C(=O)CNc4cc(cc(c4)Cl)Cl
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 Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8FLV	Download	Experimental	e8flvA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot