2026-09-05_00000301|ligand|9XZ2

Crystal structure of BTK kinase domain bound to a tirabrutinib analog with an acrylamide warhead; X-ray diffraction 2.48Å
Protein #1 271 residues (98% resolved)

MEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIRMIREGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGMTRYVLDDEYTSSTGSKFPVKWASPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLPRPHLASERVYTIMYSCWHEKADERPSFKILLSNILDVMDEESHHHHHH

MEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIRMIREGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGMTRYVLDDEYTSSTGSKFPVKWASPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLPRPHLASERVYTIMYSCWHEKADERPSFKILLSNILDVMDEESHHHHHH
Non polymer #2 A1CSB

InChI=1S/C24H24N6O3/c1-2-20(31)28-13-12-17(14-28)30-23-21(22(25)26-15-27-23)29(24(30)32)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h3-11,15,17H,2,12-14H2,1H3,(H2,25,26,27)/t17-/m1/s1

CCC(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5
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Reference