Ligand name: 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide
PDB ligand accession: OQ4
DrugBank: DB18515
PubChem: n/a
ChEMBL: CHEMBL4650827
InChI Key: FRVSRBKUQZKTOW-YOCNBXQISA-N
SMILES: CCN(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O00255

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7UJ4	Download	Experimental	e7uj4A1 e7uj4A2 e7uj4B1 e7uj4B2	Cysteine proteinases-like Repetitive alpha hairpins Cysteine proteinases-like Repetitive alpha hairpins	LigPlot
8E90	Download	Experimental	e8e90A1 e8e90A2 e8e90B1 e8e90B2	Repetitive alpha hairpins Cysteine proteinases-like Cysteine proteinases-like Repetitive alpha hairpins	LigPlot