4C67

Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains

Summary for 4C67

• Entry DOI: 10.2210/pdb4c67/pdb
• Related: 4C66
• Descriptor: BROMODOMAIN-CONTAINING PROTEIN 4, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: cell cycle, histone, epigenetic reader brd4, bromodomain containing protein 4, antagonist
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 15503.86

Authors

Chung, C.,Mirguet, O. (deposition date: 2013-09-17, release date: 2013-10-02, Last modification date: 2013-10-30)

• Primary citation: Mirguet, O.,Gosmini, R.,Toum, J.,Clement, C.,Barnathan, M.,Brusq, J.,Mordaunt, J.E.,Grimes, R.,Crowe, M.,Pineau, O.,Ajakane, M.,Daugan, A.,Jeffrey, P.,Cutler, L.,Haynes, A.,Smithers, N.,Chung, C.,Bamborough, P.,Uings, I.J.,Lewis, T.,Witherington, J.,Parr, N.,Prinjha, R.,Nicodeme, E.; Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.; J.Med.Chem., 56:7501-, 2013; PubMed: 24015967; DOI: 10.1021/JM401088K

Experimental method

X-RAY DIFFRACTION (1.55 Å)