Ligand name: N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
PDB ligand accession: I85
DrugBank: n/a
PubChem: 137349546
ChEMBL: n/a
InChI Key: FEVPBNYNYKIJAR-QHCPKHFHSA-N
SMILES: c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)C5(CCCNC5)CNC4=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Trifluoromethylbenzenes

List of PDB structures and/or AlphaFold models with target protein Q16644

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SHE	Download	Experimental	e3sheA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot