2026-07-11_00000263|ligand|9Y57

Co-crystal structure of BTK kinase domain with non-covalent inhibitor; X-ray diffraction 1.40Å
Protein #1 278 residues (98% resolved)

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
Non polymer #2 A1CSJ

InChI=1S/C34H39FN8O5/c1-20-17-41(25-18-48-19-25)12-13-42(20)28-9-11-30(40-31(28)21(2)44)39-27-16-38-43(32(27)33(36)45)24-7-4-22(5-8-24)15-37-34(46)26-14-23(35)6-10-29(26)47-3/h4-11,14,16,20-21,25,44H,12-13,15,17-19H2,1-3H3,(H2,36,45)(H,37,46)(H,39,40)/t20-,21-/m0/s1

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