Ligand name: N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PDB ligand accession: 50E
DrugBank: n/a
PubChem: 91936969
ChEMBL: CHEMBL3629009
InChI Key: VBUUATKGJOATLP-UHFFFAOYSA-N
SMILES: CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Aminopyridines and derivatives

List of PDB structures and/or AlphaFold models with target protein Q12852

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5CEP	Download	Experimental	e5cepA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot