2026-07-11_00000181
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ligand
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9TFK
KIT kinase domain in complex with a quinoline-3-carbonitrile-based compound (38);
X-ray diffraction 1.70Å
Protein #1
326 residues (93% resolved)
Raw Sequence ...
GSPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Canonical Sequence ...
GSPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Non polymer #2
A1JVY
InChI=1S/C26H24FN7/c1-26(29,19-6-8-21(27)9-7-19)20-16-31-25(32-17-20)34-12-10-33(11-13-34)24-18(14-28)15-30-23-5-3-2-4-22(23)24/h2-9,15-17H,10-13,29H2,1H3/t26-/m0/s1
InChI=1S/C26H24FN7/c1-26(29,19-6-8-21(27)9-7-19)20-16-31-25(32-17-20)34-12-10-33(11-13-34)24-18(14-28)15-30-23-5-3-2-4-22(23)24/h2-9,15-17H,10-13,29H2,1H3/t26-/m0/s1
SMILES: C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5ccccc5ncc4C#N)N
C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5ccccc5ncc4C#N)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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