Ligand name: 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
PDB ligand accession: DWS
DrugBank: n/a
PubChem: 134693805
ChEMBL: n/a
InChI Key: MJZJSVVSZUVNQP-RIMKCHMMSA-N
SMILES: CC1C2CCc3cnc(nc3C2(CC(C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein O75874

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6BL2	Download	Experimental	e6bl2A1 e6bl2C1 e6bl2B1 e6bl2A1 e6bl2A2 e6bl2C2	Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like Isocitrate/Isopropylmalate dehydrogenase-like	LigPlot