Ligand name: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine
PDB ligand accession: 5MA
DrugBank: n/a
PubChem: 53393817
ChEMBL: CHEMBL1939501
InChI Key: CUYHWBGVPXGMKQ-UHFFFAOYSA-N
SMILES: c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3T1A	Download	Experimental	e3t1aA5 e3t1aA8	Ribonuclease H-like Alpha-beta plaits	LigPlot
3T19	Download	Experimental	e3t19A5 e3t19A7	Ribonuclease H-like Alpha-beta plaits	LigPlot