Ligand name: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE
PDB ligand accession: 715
DrugBank: DB01261
PubChem: 4369359
ChEMBL: CHEMBL1422
InChI Key: MFFMDFFZMYYVKS-SECBINFHSA-N
SMILES: c1c(c(cc(c1F)F)F)CC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N
Drug action: inhibitor

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
1X70	Download	Experimental	e1x70A2 e1x70A1 e1x70B2 e1x70B1	alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like	LigPlot