2026-07-04_00000177
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ligand
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9VO8
Co-crystal structure of HPK1 in complex with compound 15;
X-ray diffraction 2.46Å
Protein #1
293 residues (99% resolved)
Raw Sequence ...
MDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKN
Canonical Sequence ...
MDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKN
Non polymer #2
A1EUJ
InChI=1S/C25H26ClN9O2S/c1-34(2)13-15-14-35(3)21-8-5-16(11-17(15)21)30-25-29-12-18(26)24(32-25)31-20-7-6-19-22(28-10-9-27-19)23(20)33-38(4,36)37/h5-12,14,33H,13H2,1-4H3,(H2,29,30,31,32)
InChI=1S/C25H26ClN9O2S/c1-34(2)13-15-14-35(3)21-8-5-16(11-17(15)21)30-25-29-12-18(26)24(32-25)31-20-7-6-19-22(28-10-9-27-19)23(20)33-38(4,36)37/h5-12,14,33H,13H2,1-4H3,(H2,29,30,31,32)
SMILES: Cn1cc(c2c1ccc(c2)Nc3ncc(c(n3)Nc4ccc5c(c4NS(=O)(=O)C)nccn5)Cl)CN(C)C
Cn1cc(c2c1ccc(c2)Nc3ncc(c(n3)Nc4ccc5c(c4NS(=O)(=O)C)nccn5)Cl)CN(C)C
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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