Ligand name: N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea
PDB ligand accession: VQS
DrugBank: n/a
PubChem: 25168990
ChEMBL: CHEMBL3410672
InChI Key: JWGVUDPAMQEIJU-INIZCTEOSA-N
SMILES: CC1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylthioureas

List of PDB structures and/or AlphaFold models with target protein P21675

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7K0D	Download	Experimental	e7k0dA1	Bromodomain-like	LigPlot