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TitleDiscovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library.
Journal, issue, pagesChembiochem, Vol. 18, Page 864-871, Year 2017
Publish dateDec 16, 2016 (structure data deposition date)
AuthorsCuozzo, J.W. / Centrella, P.A. / Gikunju, D. / Habeshian, S. / Hupp, C.D. / Keefe, A.D. / Sigel, E.A. / Soutter, H.H. / Thomson, H.A. / Zhang, Y. / Clark, M.A.
External linksChembiochem / PubMed:28056160
MethodsX-ray diffraction
Resolution1.33 Å
Structure data

PDB-5u9d:
Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

Chemicals

ChemComp-83P:
(R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsANTITUMOR PROTEIN / Brutons tyrosine kinase / BTK / PROTEIN KINASE / DNA encoded library / PROTEROS BIOSTRUCTURES GMBH

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