2025-02-15_00000169|ligand|9H8D

Crystal structure of HPK1 T165E/S171E in complex with compound 6; X-ray diffraction 1.64Å
Protein #1 294 residues (98% resolved)

GSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKN

GSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKN
Non polymer #2 A1ITC

InChI=1S/C23H23N7O2/c1-29-14-26-20-17(3-2-4-19(20)29)18-13-25-23(21(28-18)22(24)31)27-15-5-7-16(8-6-15)30-9-11-32-12-10-30/h2-8,13-14H,9-12H2,1H3,(H2,24,31)(H,25,27)

Cn1cnc2c1cccc2c3cnc(c(n3)C(=O)N)Nc4ccc(cc4)N5CCOCC5
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Reference