2026-06-13_00000088|ligand|9HM1

Crystal structure of GSK3b in complex with N-(4-{5-[(2-aminoethyl)sulfamoyl]thiophen-2-yl}pyridin-2-yl)cyclopropanecarboxamide inhibitor; X-ray diffraction 2.45Å
Protein #1 364 residues (93% resolved)

MKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVS(PTR)ICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARENLYFQ

MKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARENLYFQ
Non polymer #2 A1IV9

InChI=1S/C15H18N4O3S2/c16-6-8-18-24(21,22)14-4-3-12(23-14)11-5-7-17-13(9-11)19-15(20)10-1-2-10/h3-5,7,9-10,18H,1-2,6,8,16H2,(H,17,19,20)

c1cc(sc1c2ccnc(c2)NC(=O)C3CC3)S(=O)(=O)NCCN
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