4X2I

Discovery of benzotriazolo diazepines as orally-active inhibitors of BET bromodomains: Crystal structure of BRD4 with CPI-13

Summary for 4X2I

• Entry DOI: 10.2210/pdb4x2i/pdb
• Descriptor: Bromodomain-containing protein 4, FORMIC ACID, (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, ... (4 entities in total)
• Functional Keywords: bet, cpi-13, signaling protein
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 15238.94

Authors

Bellon, S.F.,Jayaram, H.,Poy, F. (deposition date: 2014-11-26, release date: 2015-11-11, Last modification date: 2024-02-28)

• Primary citation: Taylor, A.M.,Vaswani, R.G.,Gehling, V.S.,Hewitt, M.C.,Leblanc, Y.,Audia, J.E.,Bellon, S.,Cummings, R.T.,Cote, A.,Harmange, J.C.,Jayaram, H.,Joshi, S.,Lora, J.M.,Mertz, J.A.,Neiss, A.,Pardo, E.,Nasveschuk, C.G.,Poy, F.,Sandy, P.,Setser, J.W.,Sims, R.J.,Tang, Y.,Albrecht, B.K.; Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains.; Acs Med.Chem.Lett., 7:145-150, 2016; PubMed: 26985289; DOI: 10.1021/ml500411h

Experimental method

X-RAY DIFFRACTION (1.2 Å)