Ligand name: (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
PDB ligand accession: KHC
DrugBank: n/a
PubChem: 124504856
ChEMBL: n/a
InChI Key: OWAWOKKHZNRHGV-JTQLQIEISA-N
SMILES: Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4(C3C#N)CCNCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Pyridoindoles

List of PDB structures and/or AlphaFold models with target protein P49761

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Z2V	Download	Experimental	e6z2vA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6YU1	Download	Experimental	e6yu1a1 e6yu1c1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot