Ligand name: [{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
PDB ligand accession: P9D
DrugBank: n/a
PubChem: 17757337
ChEMBL: CHEMBL394052
InChI Key: RVJNIKFVEAWLQC-HXUWFJFHSA-N
SMILES: CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)C=Cc4[nH]nnn4)N5CCCC(C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P52002

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3W9J	Download	Experimental	e3w9jB5 e3w9jB16 e3w9jB22 e3w9jE5 e3w9jE16 e3w9jE22	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot