Ligand name: 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde
PDB ligand accession: 7B2
DrugBank: n/a
PubChem: 129316466
ChEMBL: n/a
InChI Key: NGGFPHTYSIHBDE-UHFFFAOYSA-N
SMILES: Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolo[3,4-d]pyridazines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P11838

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5LWR	Download	Experimental	e5lwrA1 e5lwrA2	cradle loop barrel cradle loop barrel	LigPlot
5LWS	Download	Experimental	e5lwsA1 e5lwsA2	cradle loop barrel cradle loop barrel	LigPlot