Ligand name: 6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole
PDB ligand accession: 97O
DrugBank: n/a
PubChem: 137348793
ChEMBL: CHEMBL4438836
InChI Key: LOJZGYGSTOWCFA-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein P81947

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5Z4P	Download	Experimental	e5z4pA1 e5z4pA2 e5z4pB1 e5z4pB2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like	LigPlot