Ligand name: (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE
PDB ligand accession: 474
DrugBank: DB07092
PubChem: n/a
ChEMBL: CHEMBL437557
InChI Key: JNAZOMVWUGPITI-LNMJFAINSA-N
SMILES: CN(C)C(=O)C(C1CCC(CC1)c2ccc3ncnn3c2)C(C(=O)N4CCC(C4)(F)F)N
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
2QTB	Download	Experimental	e2qtbA2 e2qtbA1 e2qtbB2 e2qtbB1	alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like	LigPlot