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TitleDiscovery of a Furanopyrimidine-Based Epidermal Growth Factor Receptor Inhibitor (DBPR112) as a Clinical Candidate for the Treatment of Non-Small Cell Lung Cancer.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 10108-10123, Year 2019
Publish dateApr 30, 2019 (structure data deposition date)
AuthorsLin, S.Y. / Chang Hsu, Y. / Peng, Y.H. / Ke, Y.Y. / Lin, W.H. / Sun, H.Y. / Shiao, H.Y. / Kuo, F.M. / Chen, P.Y. / Lien, T.W. ...Lin, S.Y. / Chang Hsu, Y. / Peng, Y.H. / Ke, Y.Y. / Lin, W.H. / Sun, H.Y. / Shiao, H.Y. / Kuo, F.M. / Chen, P.Y. / Lien, T.W. / Chen, C.H. / Chu, C.Y. / Wang, S.Y. / Yeh, K.C. / Chen, C.P. / Hsu, T.A. / Wu, S.Y. / Yeh, T.K. / Chen, C.T. / Hsieh, H.P.
External linksJ. Med. Chem. / PubMed:31560541
MethodsX-ray diffraction
Resolution2.86 Å
Structure data

PDB-6jz0:
Crystal structure of EGFR kinase domain in complex with compound 78
Method: X-RAY DIFFRACTION / Resolution: 2.86 Å

Chemicals

ChemComp-CKO:
E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / kinase / ATP binding site / covalent bonding with ligand / TRANSFERASE-INHIBITOR complex

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