Ligand name: 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
PDB ligand accession: O0A
DrugBank: n/a
PubChem: 137084692
ChEMBL: CHEMBL4471223
InChI Key: WMAFBTHYXHDENE-DQEYMECFSA-N
SMILES: Cc1ccc(cc1)C2c3c(nn(c3NC(=O)C2NC(=O)c4cccc(c4)C)c5ccccc5)C
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 D9IEF7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6P5W	Download	Experimental	e6p5wA1 e6p5wA3	EF-hand EF-hand	LigPlot