2024-12-07_00000197|ligand|8V74

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 10; X-ray diffraction 1.85Å
Protein #1 261 residues (91% resolved)

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Non polymer #2 YJQ

InChI=1S/C18H14N6O2/c25-18(11-1-2-11)19-13-6-3-10(4-7-13)16-14-9-12(17-20-23-24-21-17)5-8-15(14)22-26-16/h3-9,11H,1-2H2,(H,19,25)(H,20,21,23,24)

c1cc(ccc1c2c3cc(ccc3no2)c4[nH]nnn4)NC(=O)C5CC5
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