Ligand name: methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate
PDB ligand accession: F1D
DrugBank: n/a
PubChem: 132473016
ChEMBL: n/a
InChI Key: BAVCOKCQUYWPLU-GOSISDBHSA-N
SMILES: CC1=Nc2nc(nn2C(=O)C1)NC(CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Triazolopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P0A6I6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6CHN	Download	Experimental	e6chnA1 e6chnB1	HUP domain-like HUP domain-like	LigPlot