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TitleDiscovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 2321-2336, Year 2024
Publish dateSep 5, 2023 (structure data deposition date)
AuthorsRobbins, D.W. / Noviski, M.A. / Tan, Y.S. / Konst, Z.A. / Kelly, A. / Auger, P. / Brathaban, N. / Cass, R. / Chan, M.L. / Cherala, G. ...Robbins, D.W. / Noviski, M.A. / Tan, Y.S. / Konst, Z.A. / Kelly, A. / Auger, P. / Brathaban, N. / Cass, R. / Chan, M.L. / Cherala, G. / Clifton, M.C. / Gajewski, S. / Ingallinera, T.G. / Karr, D. / Kato, D. / Ma, J. / McKinnell, J. / McIntosh, J. / Mihalic, J. / Murphy, B. / Panga, J.R. / Peng, G. / Powers, J. / Perez, L. / Rountree, R. / Tenn-McClellan, A. / Sands, A.T. / Weiss, D.R. / Wu, J. / Ye, J. / Guiducci, C. / Hansen, G. / Cohen, F.
External linksJ. Med. Chem. / PubMed:38300987
MethodsX-ray diffraction
Resolution1.9 - 1.95 Å
Structure data

PDB-8u2d:
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8u2e:
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-UQX:
(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-UP9:
(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide

ChemComp-IOD:
IODIDE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein degradation / leukemia

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