Ligand name: (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
PDB ligand accession: 448
DrugBank: DB07081
PubChem: 23661697
ChEMBL: CHEMBL250787
InChI Key: FDEXEPZGMKFCTG-PSASIEDQSA-N
SMILES: CC1c2nc(nn2CCN1C(=O)CC(Cc3cc(c(cc3F)F)F)N)C(F)(F)F
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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P27487

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2QOE	Download	Experimental	e2qoeA2 e2qoeA1 e2qoeB2 e2qoeB1	alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like	LigPlot