2026-07-11_00000266|ligand|9Y5B

Co-crystal structure of BTK kinase domain with non-covalent inhibitor; X-ray diffraction 1.90Å
Protein #1 278 residues (97% resolved)

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
Non polymer #2 A1CSL

InChI=1S/C30H31FN6O3/c1-40-27-11-6-22(31)16-25(27)30(39)34-17-19-2-9-24(10-3-19)37-28(29(32)38)26(18-35-37)36-23-7-4-20(5-8-23)21-12-14-33-15-13-21/h2-11,16,18,21,33,36H,12-15,17H2,1H3,(H2,32,38)(H,34,39)

COc1ccc(cc1C(=O)NCc2ccc(cc2)n3c(c(cn3)Nc4ccc(cc4)C5CCNCC5)C(=O)N)F
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Reference