Ligand name: (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL
PDB ligand accession: 3B3
DrugBank: DB07037
PubChem: 6540273
ChEMBL: n/a
InChI Key: MBZPCTWLFNYBND-QMMMGPOBSA-N
SMILES: c1cc2c(ccc(c2nc1)NCC(CN)O)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Nitroquinolines and derivatives

List of drug binding-associated PTMs

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
2CGV	Download	Experimental	e2cgvA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot