5V84

CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)

Summary for 5V84

• Entry DOI: 10.2210/pdb5v84/pdb
• Descriptor: Cat eye syndrome critical region protein 2, SULFATE ION, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, ... (4 entities in total)
• Functional Keywords: bromodomain, sbdd, transcription-inhibitor complex, transcription/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 68481.73

Authors

Murray, J.M.,Kiefer, J.R.,Jayaran, H.,Bellon, S.,Boy, F. (deposition date: 2017-03-21, release date: 2017-06-14, Last modification date: 2023-10-04)

• Primary citation: Crawford, T.D.,Audia, J.E.,Bellon, S.,Burdick, D.J.,Bommi-Reddy, A.,Cote, A.,Cummings, R.T.,Duplessis, M.,Flynn, E.M.,Hewitt, M.,Huang, H.R.,Jayaram, H.,Jiang, Y.,Joshi, S.,Kiefer, J.R.,Murray, J.,Nasveschuk, C.G.,Neiss, A.,Pardo, E.,Romero, F.A.,Sandy, P.,Sims, R.J.,Tang, Y.,Taylor, A.M.,Tsui, V.,Wang, J.,Wang, S.,Wang, Y.,Xu, Z.,Zawadzke, L.,Zhu, X.,Albrecht, B.K.,Magnuson, S.R.,Cochran, A.G.; GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).; ACS Med Chem Lett, 8:737-741, 2017; PubMed: 28740608; DOI: 10.1021/acsmedchemlett.7b00132

Experimental method

X-RAY DIFFRACTION (2.7 Å)