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TitlePyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 6834-6844, Year 2014
Publish dateMar 12, 2014 (structure data deposition date)
AuthorsUnzue, A. / Dong, J. / Lafleur, K. / Zhao, H. / Frugier, E. / Caflisch, A. / Nevado, C.
External linksJ. Med. Chem. / PubMed:25076195
MethodsX-ray diffraction
Resolution1.35 - 2.002 Å
Structure data

PDB-4p4c:
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Method: X-RAY DIFFRACTION / Resolution: 1.599 Å

PDB-4p5q:
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4p5z:
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Method: X-RAY DIFFRACTION / Resolution: 2.002 Å

Chemicals

ChemComp-25Q:
2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-Q0B:
2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

ChemComp-Q7M:
2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

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

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