2025-07-19_00000238|ligand|9RM4

Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015373; X-ray diffraction 1.95Å
Protein #1 214 residues (71% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEMKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEMKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #2 A1JHM

InChI=1S/C19H25ClN4O3/c1-19(2,11-25)23-17(26)12-7-13(20)9-15(8-12)22-18(27)16-6-5-14(21-16)10-24(3)4/h5-9,21,25H,10-11H2,1-4H3,(H,22,27)(H,23,26)

CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NC(=O)c2ccc([nH]2)CN(C)C
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
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