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Structure paper

TitleDiscovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 220-234, Year 2023
Publish dateAug 11, 2021 (structure data deposition date)
AuthorsZhan, Z. / Ji, Y. / Su, H. / Fang, C. / Peng, X. / Liu, Q. / Dai, Y. / Lin, D. / Xu, Y. / Ai, J. / Duan, W.
External linksJ. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution1.7 - 1.9 Å
Structure data

PDB-7v3r:
Crystal structure of CMET in complex with a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7v3s:
Crystal structure of CMET in complex with a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-5IE:
~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

ChemComp-HOH:
WATER

ChemComp-5I9:
~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / TRANSFERASE-INHIBITOR COMPLEX

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