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

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for DB01261

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P27487_715	P27487	inhibitor	Ki(nM) = 18.0 IC50(nM) = 0.87 Kd(nM) = 5.3
2	P14740_715	P14740	n/a	IC50(nM) = 33.0
3	Q8A028_715	Q8A028	n/a