2026-02-21_00000172|ligand|9ZLM

Crystal structure of BTK kinase domain bound to compound YS2; X-ray diffraction 1.27Å
Protein #1 278 residues (97% resolved)

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIREGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLPRPHLASERVYTIMYSCWHEKADERPSFKILLSNILDVMDEES

KNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIREGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLPRPHLASERVYTIMYSCWHEKADERPSFKILLSNILDVMDEES
Non polymer #2 A1C2Z

InChI=1S/C26H31N3O5/c1-2-23(30)28-26(11-13-33-14-12-26)20-7-6-8-21(15-20)27-24(31)25(32)29-16-19(17-29)18-34-22-9-4-3-5-10-22/h3-10,15,19H,2,11-14,16-18H2,1H3,(H,27,31)(H,28,30)

CCC(=O)NC1(CCOCC1)c2cccc(c2)NC(=O)C(=O)N3CC(C3)COc4ccccc4
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