Ligand name: 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one
PDB ligand accession: 2Q9
DrugBank: n/a
PubChem: 90654652
ChEMBL: CHEMBL3235345
InChI Key: SAYWXJCRCITRBW-UHFFFAOYSA-N
SMILES: CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein P07900

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4O05	Download	Experimental	e4o05A1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot