Ligand name: ethyl 4-[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate
PDB ligand accession: UX4
DrugBank: n/a
PubChem: 92213413
ChEMBL: n/a
InChI Key: XBHQVTSPEFNYKC-CYBMUJFWSA-N
SMILES: CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CCC(CCN4C3=O)C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O60760

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5YX1	Download	Experimental	e5yx1B1 e5yx1B2 e5yx1C1 e5yx1C2 e5yx1D1 e5yx1D2	Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like	LigPlot