2026-10-03_00000000|ligand|10LP

Crystal structure of mouse CD38 with compound 9; X-ray diffraction 1.96Å
Protein #1 263 residues (92% resolved)

RSLLVWTGEPTTKHFSDIFLGRCLIYTQILRPEMRDQNCQEILSTFKGAFVSKNPCDITREDYAPLVKLVTQTIPCDKTLFWSKSKHLAHQYTWIQGKMFTLEDTLLGYIADDLRWCGDPSTSDMNYVSCPHWSENCPNNPITVFWKVISQKFAEDACGVVQVMLDGSLREPFYKDSTFGSVQVFSLDPNKVHKLQAWVMHDIEGASSNACSSSSLNELKMIVQKRNMIFACVDNYRPARFLQCVKNPEHPSCRLNTLEVLFQ

RSLLVWTGEPTTKHFSDIFLGRCLIYTQILRPEMRDQNCQEILSTFKGAFVSKNPCDITREDYAPLVKLVTQTIPCDKTLFWSKSKHLAHQYTWIQGKMFTLEDTLLGYIADDLRWCGDPSTSDMNYVSCPHWSENCPNNPITVFWKVISQKFAEDACGVVQVMLDGSLREPFYKDSTFGSVQVFSLDPNKVHKLQAWVMHDIEGASSNACSSSSLNELKMIVQKRNMIFACVDNYRPARFLQCVKNPEHPSCRLNTLEVLFQ
Non polymer #2 A1C6U

InChI=1S/C30H35N11O16P2S/c31-26-21-28(34-11-33-26)40(12-35-21)30-25(45)23(43)19(56-30)10-54-59(48,49)57-58(46,47)53-9-18-22(42)24(44)29(55-18)39-8-16-20-17(52-4-3-38(16)13-39)6-32-27(37-20)14-5-36-41(7-14)60(50,51)15-1-2-15/h5-8,11-13,15,18-19,22-25,29-30,42-45H,1-4,9-10H2,(H3-,31,33,34,46,47,48,49)/p+1/t18-,19-,22-,23-,24-,25-,29-,30-/m1/s1

c1c(cn(n1)S(=O)(=O)C2CC2)c3ncc4c(n3)-c5c[n+](cn5CCO4)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O
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Reference