Ligand name: METHYL {(7R)-6-CYANO-7-(4-CYANOPHENYL)-5-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-4,7-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL}CARBAMATE
PDB ligand accession: VBM
DrugBank: n/a
PubChem: 68432778
ChEMBL: n/a
InChI Key: CBMCUAQNNUOHFF-LJQANCHMSA-N
SMILES: CC1=C(C(N2C(=NC(=NC(=O)OC)N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N
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 P08246

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5A8Y	Download	Experimental	e5a8yA1	cradle loop barrel	LigPlot