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Structure paper

TitleIdentification of Potent Reverse Indazole Inhibitors for HPK1.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 459-466, Year 2021
Publish dateDec 16, 2020 (structure data deposition date)
AuthorsYu, E.C. / Methot, J.L. / Fradera, X. / Lesburg, C.A. / Lacey, B.M. / Siliphaivanh, P. / Liu, P. / Smith, D.M. / Xu, Z. / Piesvaux, J.A. ...Yu, E.C. / Methot, J.L. / Fradera, X. / Lesburg, C.A. / Lacey, B.M. / Siliphaivanh, P. / Liu, P. / Smith, D.M. / Xu, Z. / Piesvaux, J.A. / Kawamura, S. / Xu, H. / Miller, J.R. / Bittinger, M. / Pasternak, A.
External linksAcs Med. Chem. Lett. / PubMed:33738073
MethodsX-ray diffraction
Resolution1.85 - 2.68 Å
Structure data

PDB-7l24:
HPK1 IN COMPLEX WITH COMPOUND 11
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

PDB-7l25:
HPK1 IN COMPLEX WITH COMPOUND 18
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7l26:
HPK1 IN COMPLEX WITH COMPOUND 38
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-XHV:
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine

ChemComp-HOH:
WATER

ChemComp-XHS:
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-XHM:
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / HPK1 HEMATOPOIETIC PROGENITOR KINASE / INHIBITOR COMPLEX / TRANSFERASE/TRANSFERASE inhibitor / TRANSFERASE-TRANSFERASE inhibitor complex

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