2026-01-24_00000208
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ligand
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9PSS
IRAK4 in Complex with Compound 3;
X-ray diffraction 1.93Å
Protein #1
304 residues (93% resolved)
Raw Sequence ...
GAMVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQ(TPO)VM(TPO)(SEP)RIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
Canonical Sequence ...
GAMVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
Non polymer #2
A1CKP
InChI=1S/C23H24N8O/c1-15(2)27-20-10-21(23-4-3-18-9-16(11-24)12-26-31(18)23)25-13-19(20)22-14-30(29-28-22)17-5-7-32-8-6-17/h3-4,9-10,12-15,17H,5-8H2,1-2H3,(H,25,27)
InChI=1S/C23H24N8O/c1-15(2)27-20-10-21(23-4-3-18-9-16(11-24)12-26-31(18)23)25-13-19(20)22-14-30(29-28-22)17-5-7-32-8-6-17/h3-4,9-10,12-15,17H,5-8H2,1-2H3,(H,25,27)
SMILES: CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5n4ncc(c5)C#N
CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5n4ncc(c5)C#N
Biounit #1
monomer
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Biounit #2
monomer
Download coordinates
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Model
Reference
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