Ligand name: (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
PDB ligand accession: IEI
DrugBank: n/a
PubChem: 164889270
ChEMBL: CHEMBL5403107
InChI Key: YUFHVVATBPCYPQ-BQGOKDIQSA-N
SMILES: Cc1c(scn1)c2ccc(c(c2)OCCCN3CCC(CC3)c4ccc5c(c4)N(C6=NC(=O)c7c(cccc7Br)N56)C8CCCC8)CNC(=O)C9CC(CN9C(=O)C(C(C)(C)C)NC(=O)C1(CC1)F)O
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P51531

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7Z6L	Download	Experimental	e7z6lA1 e7z6lB2	Bromodomain-like Immunoglobulin-like beta-sandwich	LigPlot