Ligand name: 6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PDB ligand accession: H90
DrugBank: n/a
PubChem: 60196213
ChEMBL: CHEMBL2324558
InChI Key: PTCVSDDJAQNAKH-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzophenones

List of PDB structures and/or AlphaFold models with target protein B2HVG8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3U17	Download	Experimental	e3u17A1 e3u17A2 e3u17A3 e3u17B2 e3u17B3	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot