Ligand name: N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
PDB ligand accession: YHP
DrugBank: n/a
PubChem: 155937487
ChEMBL: CHEMBL4876194
InChI Key: QEHZKPQZGREGTJ-ZCYQVOJMSA-N
SMILES: CCN1c2c(c(nn2c3ccccc3)CN)C(C(C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)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 PDB structures and/or AlphaFold models with target protein A0A097J809

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7KWA	Download	Experimental	e7kwaA1 e7kwaA3	EF-hand EF-hand	LigPlot