Ligand name: 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE
PDB ligand accession: 85A
DrugBank: n/a
PubChem: 11329100
ChEMBL: CHEMBL220035
InChI Key: ZUEAHWHCYOLVEP-UHFFFAOYSA-N
SMILES: c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein O14757

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2E9V	Download	Experimental	e2e9vA1 e2e9vB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot