2024-12-07_00000193|ligand|8V70

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 6; X-ray diffraction 1.85Å
Protein #1 261 residues (90% resolved)

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Non polymer #2 YHW

InChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19)

c1ccc(cc1)c2c3cc(ccc3no2)c4[nH]nnn4
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Reference