Ligand name: (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one
PDB ligand accession: B97
DrugBank: DB07430
PubChem: 44631903
ChEMBL: CHEMBL1231206
InChI Key: CMWRPDHVGMHLSZ-GFCCVEGCSA-N
SMILES: Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)NC(CN5)C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Bipyridines and oligopyridines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49137

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6T8X	Download	Experimental	e6t8xA1 e6t8xB1 e6t8xC1 e6t8xD1 e6t8xE1 e6t8xF1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp 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
3FYJ	Download	Experimental	e3fyjX2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7NRY	Download	Experimental	e7nryX1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot