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TitleDiscovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 653-661, Year 2021
Publish dateMar 11, 2021 (structure data deposition date)
AuthorsVara, B.A. / Levi, S.M. / Achab, A. / Candito, D.A. / Fradera, X. / Lesburg, C.A. / Kawamura, S. / Lacey, B.M. / Lim, J. / Methot, J.L. ...Vara, B.A. / Levi, S.M. / Achab, A. / Candito, D.A. / Fradera, X. / Lesburg, C.A. / Kawamura, S. / Lacey, B.M. / Lim, J. / Methot, J.L. / Xu, Z. / Xu, H. / Smith, D.M. / Piesvaux, J.A. / Miller, J.R. / Bittinger, M. / Ranganath, S.H. / Bennett, D.J. / DiMauro, E.F. / Pasternak, A.
External linksAcs Med. Chem. Lett. / PubMed:33859804
MethodsX-ray diffraction
Resolution1.93 - 2.43 Å
Structure data

PDB-7m0k:
HPK1 IN COMPLEX WITH COMPOUND 1
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-7m0l:
HPK1 IN COMPLEX WITH COMPOUND 1
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-7m0m:
HPK1 IN COMPLEX WITH COMPOUND 1
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-YK7:
4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-YK4:
4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

ChemComp-YK1:
4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

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

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