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TitleDesign and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 4265-4269, Year 2015
Publish dateMay 28, 2015 (structure data deposition date)
AuthorsLiu, Q. / Batt, D.G. / Lippy, J.S. / Surti, N. / Tebben, A.J. / Muckelbauer, J.K. / Chen, L. / An, Y. / Chang, C. / Pokross, M. ...Liu, Q. / Batt, D.G. / Lippy, J.S. / Surti, N. / Tebben, A.J. / Muckelbauer, J.K. / Chen, L. / An, Y. / Chang, C. / Pokross, M. / Yang, Z. / Wang, H. / Burke, J.R. / Carter, P.H. / Tino, J.A.
External linksBioorg. Med. Chem. Lett. / PubMed:26320619
MethodsX-ray diffraction
Resolution1.57 - 2.31 Å
Structure data

PDB-5bpy:
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.31 Å

PDB-5bq0:
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

Chemicals

ChemComp-4UQ:
6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-4US:
4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

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

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