Ligand name: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium
PDB ligand accession: 45R
DrugBank: n/a
PubChem: 78673830
ChEMBL: n/a
InChI Key: GMZCYCKIXQZORP-UHFFFAOYSA-O
SMILES: COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein Q14680

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4D2V	Download	Experimental	e4d2vA2 e4d2vD2 e4d2vB2 e4d2vC2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5TWZ	Download	Experimental	e5twzA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot