Ligand name: N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PDB ligand accession: 2P1
DrugBank: n/a
PubChem: 66613669
ChEMBL: CHEMBL3260358
InChI Key: LKBHAGGICJWHQQ-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P43490

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4O15	Download	Experimental	e4o15A2 e4o15B1 e4o15A1 e4o15A2 e4o15B2	TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4O13	Download	Experimental	e4o13A2 e4o13B2 e4o13A2 e4o13A3 e4o13B1	TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel	LigPlot