2026-07-11_00000182
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ligand
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9TFL
KIT kinase domain in complex with a methyl quinazoline-7-carboxylate-based compound (41);
X-ray diffraction 1.80Å
Protein #1
327 residues (91% resolved)
Raw Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Canonical Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Non polymer #2
A1JV0
InChI=1S/C26H26FN7O2/c1-26(28,18-4-6-20(27)7-5-18)19-14-29-25(30-15-19)34-11-9-33(10-12-34)23-21-8-3-17(24(35)36-2)13-22(21)31-16-32-23/h3-8,13-16H,9-12,28H2,1-2H3/t26-/m0/s1
InChI=1S/C26H26FN7O2/c1-26(28,18-4-6-20(27)7-5-18)19-14-29-25(30-15-19)34-11-9-33(10-12-34)23-21-8-3-17(24(35)36-2)13-22(21)31-16-32-23/h3-8,13-16H,9-12,28H2,1-2H3/t26-/m0/s1
SMILES: C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5ccc(cc5ncn4)C(=O)OC)N
C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5ccc(cc5ncn4)C(=O)OC)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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