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TitleDiscovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 15629-15647, Year 2023
Publish dateJul 24, 2023 (structure data deposition date)
AuthorsFreeman, D.B. / Hopkins, T.D. / Mikochik, P.J. / Vacca, J.P. / Gao, H. / Naylor-Olsen, A. / Rudra, S. / Li, H. / Pop, M.S. / Villagomez, R.A. ...Freeman, D.B. / Hopkins, T.D. / Mikochik, P.J. / Vacca, J.P. / Gao, H. / Naylor-Olsen, A. / Rudra, S. / Li, H. / Pop, M.S. / Villagomez, R.A. / Lee, C. / Zhou, M. / Saffran, D.C. / Rioux, N. / Hood, T.R. / Day, M.A.L. / McKeown, M.R. / Lin, C.Y. / Bischofberger, N. / Trotter, B.W.
External linksJ. Med. Chem. / PubMed:37967851
MethodsX-ray diffraction
Resolution3.751 Å
Structure data

PDB-8k5r:
CDK9/cyclin T1 in complex with KB-0742
Method: X-RAY DIFFRACTION / Resolution: 3.751 Å

Chemicals

ChemComp-VQE:
(1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / KB-0742 / CDK9/cyclin T1 / CDK9 / cyclin T1

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