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TitleDiscovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 11080-11107, Year 2019
Publish dateFeb 25, 2019 (structure data deposition date)
AuthorsJiang, F. / Hu, Q. / Zhang, Z. / Li, H. / Zhang, D. / Ma, Y. / Xu, J. / Chen, H. / Cui, Y. / Zhi, Y. ...Jiang, F. / Hu, Q. / Zhang, Z. / Li, H. / Zhang, D. / Ma, Y. / Xu, J. / Chen, H. / Cui, Y. / Zhi, Y. / Zhang, Y. / Zhu, J. / Lu, T. / Chen, Y.
External linksJ. Med. Chem. / PubMed:31789032
MethodsX-ray diffraction
Resolution1.508 - 1.718 Å
Structure data

PDB-6jj3:
BRD4 in complex with 138A
Method: X-RAY DIFFRACTION / Resolution: 1.718 Å

PDB-6jjb:
BRD4 in complex with ZZM1
Method: X-RAY DIFFRACTION / Resolution: 1.508 Å

Chemicals

ChemComp-BS6:
2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide

ChemComp-HOH:
WATER

ChemComp-BT0:
2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/INHIBITOR / BRD4 / Inhibitor / SIGNALING PROTEIN-INHIBITOR complex

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