Ligand name: N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide
PDB ligand accession: 093
DrugBank: DB06836
InChI Key: JFVNFXCESCXMBC-UHFFFAOYSA-N
SMILES: CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q8NEB9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q8NEB9	Download	Predicted	Q8NEB9_F1_nD3	Protein kinase/SAICAR synthase/ATP-grasp
3IHY		Predicted	e3ihyA2 e3ihyB2 e3ihyC2 e3ihyD2 e3ihyE2 e3ihyA1 e3ihyB1 e3ihyC1 e3ihyD1 e3ihyE1
3LS8		Predicted	e3ls8A1 e3ls8B2 e3ls8B1 e3ls8A2
4OYS		Predicted	e4oysA2 e4oysA1
4PH4		Predicted	e4ph4B1 e4ph4B2
4UWF		Predicted	e4uwfA2 e4uwfA1
4UWG		Predicted	e4uwgA1 e4uwgA2
4UWH		Predicted	e4uwhA2 e4uwhA1
4UWK		Predicted	e4uwkA2 e4uwkA1
4UWL		Predicted	e4uwlA1 e4uwlA2
5ANL		Predicted	e5anlA2 e5anlA1
5ENN		Predicted	e5ennA2 e5ennB2 e5ennA1 e5ennB1
6HOG		Predicted	e6hogA1
6I3U		Predicted	e6i3uA1 e6i3uA2