Ligand name: N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
PDB ligand accession: SR7
DrugBank: DB17057
PubChem: 24180125
ChEMBL: CHEMBL257991
InChI Key: IASPBORHOMBZMY-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Anilides

List of PDB structures and/or AlphaFold models with target protein Q9NTG7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BN5	Download	Experimental	e4bn5A1 e4bn5B1 e4bn5A2 e4bn5A1 e4bn5B1 e4bn5B2 e4bn5C1 e4bn5D1 e4bn5C2 e4bn5D1 e4bn5D2 e4bn5E1 e4bn5E2 e4bn5F1 e4bn5F2 e4bn5G1 e4bn5G2 e4bn5H1 e4bn5H2 e4bn5I1 e4bn5I2 e4bn5J1 e4bn5J2 e4bn5K1 e4bn5L1 e4bn5K2 e4bn5L1 e4bn5L2	Rossmann-like Rossmann-like Rubredoxin-like Rossmann-like Rossmann-like Rubredoxin-like Rossmann-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like	LigPlot