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TitleImprovement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 5850-5862, Year 2021
Publish dateNov 30, 2020 (structure data deposition date)
AuthorsKim, H.S. / Hammill, J.T. / Scott, D.C. / Chen, Y. / Rice, A.L. / Pistel, W. / Singh, B. / Schulman, B.A. / Guy, R.K.
External linksJ. Med. Chem. / PubMed:33945681
MethodsX-ray diffraction
Resolution1.572 Å
Structure data

PDB-7kwa:
Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide
Method: X-RAY DIFFRACTION / Resolution: 1.572 Å

Chemicals

ChemComp-YHP:
N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide

ChemComp-HOH:
WATER

Source
  • enterobacteria phage rb59 (virus)
  • homo sapiens (human)
KeywordsLIGASE/Inhibitor / Inhibitor complex / LIGASE / LIGASE-Inhibitor complex

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