2024-09-28_00000252|ligand|9FKY

Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors; X-ray diffraction 1.56Å
Protein #1 152 residues (97% resolved)

GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK

GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
Non polymer #2 A1IDP

InChI=1S/C24H26F3N3O2/c1-3-23(31)30(15(2)16-4-11-22(24(25,26)27)17(12-16)14-28)19-6-9-20(10-7-19)32-21-8-5-18(29)13-21/h4,6-7,9-12,15,18,21H,3,5,8,13,29H2,1-2H3/t15-,18+,21+/m0/s1

CCC(=O)N(c1ccc(cc1)O[C@@H]2CC[C@H](C2)N)[C@@H](C)c3ccc(c(c3)C#N)C(F)(F)F
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Reference