2024-09-28_00000201|ligand|9BIK

Crystal structure of inhibitor 1 bound to HPK1; X-ray diffraction 2.25Å
Protein #1 311 residues (93% resolved)

MHHHHHHGENLYFQGSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNGNS

MHHHHHHGENLYFQGSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNGNS
Non polymer #2 A1APO

InChI=1S/C20H17N5O/c1-11-2-3-23-9-16(11)12-4-13-7-19(24-10-17(13)18(22)6-12)25-20(26)15-5-14(15)8-21/h2-4,6-7,9-10,14-15H,5,22H2,1H3,(H,24,25,26)/t14-,15+/m1/s1

Cc1ccncc1c2cc3cc(ncc3c(c2)N)NC(=O)[C@H]4C[C@@H]4C#N
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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