2026-03-07_00000002|ligand|10KZ

N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors; X-ray diffraction 1.78Å
Protein #1 307 residues (78% resolved)

MLLVNDSHQGFNKEHTSKMVSAIVLYVLLAAAAHSAFANTGDNSVSTTKTSTRIVGGTESSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILELSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLEYTEFQKPISLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPAHHHHHH

MLLVNDSHQGFNKEHTSKMVSAIVLYVLLAAAAHSAFANTGDNSVSTTKTSTRIVGGTESSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILELSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLEYTEFQKPISLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPAHHHHHH
Non polymer #2 A1C6O

InChI=1S/C23H20ClFN4O3/c24-17-7-8-18-19(20(17)25)23(32-22(31)27-18)9-4-10-28(14-23)21(30)16-11-26-29(13-16)12-15-5-2-1-3-6-15/h1-3,5-8,11,13H,4,9-10,12,14H2,(H,27,31)/t23-/m0/s1

c1ccc(cc1)Cn2cc(cn2)C(=O)N3CCC[C@]4(C3)c5c(ccc(c5F)Cl)NC(=O)O4
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Reference