2026-07-11_00000262|ligand|9Y56

Co-crystal structure of BTK kinase domain with non-covalent inhibitor; X-ray diffraction 1.60Å
Protein #1 278 residues (98% resolved)

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
Non polymer #2 A1CSI

InChI=1S/C34H41FN8O5/c1-22(47-3)31-28(42-15-13-41(14-16-42)17-18-46-2)10-12-30(40-31)39-27-21-38-43(32(27)33(36)44)25-8-5-23(6-9-25)20-37-34(45)26-19-24(35)7-11-29(26)48-4/h5-12,19,21-22H,13-18,20H2,1-4H3,(H2,36,44)(H,37,45)(H,39,40)/t22-/m0/s1

C[C@@H](c1c(ccc(n1)Nc2cnn(c2C(=O)N)c3ccc(cc3)CNC(=O)c4cc(ccc4OC)F)N5CCN(CC5)CCOC)OC
Non polymer #3 IMD

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

c1c[nH+]c[nH]1
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Reference