7KHL

BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)

Summary for 7KHL

• Entry DOI: 10.2210/pdb7khl/pdb
• Descriptor: Bromodomain-containing protein 4, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate, GLYCEROL, ... (4 entities in total)
• Functional Keywords: sbdd, cell cycle
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 35856.67

Authors

Murray, J.M. (deposition date: 2020-10-21, release date: 2021-02-24, Last modification date: 2023-10-18)

• Primary citation: Dragovich, P.S.,Pillow, T.H.,Blake, R.A.,Sadowsky, J.D.,Adaligil, E.,Adhikari, P.,Chen, J.,Corr, N.,Dela Cruz-Chuh, J.,Del Rosario, G.,Fullerton, A.,Hartman, S.J.,Jiang, F.,Kaufman, S.,Kleinheinz, T.,Kozak, K.R.,Liu, L.,Lu, Y.,Mulvihill, M.M.,Murray, J.M.,O'Donohue, A.,Rowntree, R.K.,Sawyer, W.S.,Staben, L.R.,Wai, J.,Wang, J.,Wei, B.,Wei, W.,Xu, Z.,Yao, H.,Yu, S.F.,Zhang, D.,Zhang, H.,Zhang, S.,Zhao, Y.,Zhou, H.,Zhu, X.; Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.; J.Med.Chem., 64:2576-2607, 2021; PubMed: 33596073; DOI: 10.1021/acs.jmedchem.0c01846

Experimental method

X-RAY DIFFRACTION (1.286 Å)