2024-10-05_00000170|ligand|9BHK

MerTK in complex with small molecule inhibitor 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide; X-ray diffraction 2.11Å
Protein #1 323 residues (86% resolved)

MSYYHHHHHHDYDIPTTENLYFQGAMDPEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDVRNQADVIY

MSYYHHHHHHDYDIPTTENLYFQGAMDPEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDVRNQADVIY
Non polymer #2 A1APH

InChI=1S/C24H28N8O4/c1-24(2,34)6-7-35-16-4-5-17-19(8-16)36-23(30-17)32-11-14(12-32)18-10-26-22(20(29-18)21(25)33)28-15-9-27-31(3)13-15/h4-5,8-10,13-14,34H,6-7,11-12H2,1-3H3,(H2,25,33)(H,26,28)

CC(C)(CCOc1ccc2c(c1)oc(n2)N3CC(C3)c4cnc(c(n4)C(=O)N)Nc5cnn(c5)C)O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference