Ligand name: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile
PDB ligand accession: XRL
DrugBank: n/a
PubChem: 166513922
ChEMBL: CHEMBL5427651
InChI Key: CXONFCILERVPJH-ONEGZZNKSA-N
SMILES: Cc1cc(cc(c1N2CCC(=O)Nc3c2nc(nc3)Nc4ccc(cc4)C#N)C)C=CC#N
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8FCE	Download	Experimental	e8fceA3 e8fceA4 e8fceB3	Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits	LigPlot