2025-11-01_00000305|ligand|9ND3

JAK2 pseudokinase domain in complex with diaminotriazole inhibitor; X-ray diffraction 1.62Å
Protein #1 283 residues (96% resolved)

VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDHHHHHH

VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDHHHHHH
Non polymer #2 A1BW6

InChI=1S/C24H25F2N7O4S/c1-2-19(34)29-14-5-3-13(4-6-14)17-11-12-18(25)20(21(17)26)22(35)33-23(27)31-24(32-33)30-15-7-9-16(10-8-15)38(28,36)37/h2,7-14H,1,3-6H2,(H,29,34)(H2,28,36,37)(H3,27,30,31,32)/t13-,14-

C=CC(=O)NC1CCC(CC1)c2ccc(c(c2F)C(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N)F
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Reference