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TitleImidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 6258-6263, Year 2011
Publish dateAug 3, 2011 (structure data deposition date)
AuthorsKim, K.H. / Maderna, A. / Schnute, M.E. / Hegen, M. / Mohan, S. / Miyashiro, J. / Lin, L. / Li, E. / Keegan, S. / Lussier, J. ...Kim, K.H. / Maderna, A. / Schnute, M.E. / Hegen, M. / Mohan, S. / Miyashiro, J. / Lin, L. / Li, E. / Keegan, S. / Lussier, J. / Wrocklage, C. / Nickerson-Nutter, C.L. / Wittwer, A.J. / Soutter, H. / Caspers, N. / Han, S. / Kurumbail, R. / Dunussi-Joannopoulos, K. / Douhan, J. / Wissner, A.
External linksBioorg. Med. Chem. Lett. / PubMed:21958547
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-3t9t:
Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-IAQ:
(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase domain / alpha/beta / ATP binding / phosphorylation / intracellular / TRANSFERASE-TRANSFERASE INHIBITOR complex

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