2026-07-11_00000265|ligand|9Y5A

Co-crystal structure of BTK kinase domain with non-covalent inhibitor; X-ray diffraction 1.70Å
Protein #1 278 residues (98% resolved)

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
Non polymer #2 A1CSK

InChI=1S/C32H35FN8O4/c1-20-17-39(25-18-45-19-25)11-12-40(20)24-8-10-29(35-15-24)38-27-16-37-41(30(27)31(34)42)23-6-3-21(4-7-23)14-36-32(43)26-13-22(33)5-9-28(26)44-2/h3-10,13,15-16,20,25H,11-12,14,17-19H2,1-2H3,(H2,34,42)(H,35,38)(H,36,43)/t20-/m0/s1

C[C@H]1CN(CCN1c2ccc(nc2)Nc3cnn(c3C(=O)N)c4ccc(cc4)CNC(=O)c5cc(ccc5OC)F)C6COC6
Non polymer #3 EDO

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

C(CO)O
Non polymer #4 IMD

InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1

c1c[nH+]c[nH]1
Non polymer #5 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

C(COCCOCCOCCO)O
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Reference