2026-07-11_00000183
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ligand
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9TFM
KIT kinase domain in complex with a 7-methoxyquinazolin-6-ol-based compound (45);
X-ray diffraction 2.10Å
Protein #1
327 residues (92% resolved)
Raw Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Canonical Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Non polymer #2
A1JVR
InChI=1S/C25H26FN7O2/c1-25(27,16-3-5-18(26)6-4-16)17-13-28-24(29-14-17)33-9-7-32(8-10-33)23-19-11-21(34)22(35-2)12-20(19)30-15-31-23/h3-6,11-15,34H,7-10,27H2,1-2H3/t25-/m0/s1
InChI=1S/C25H26FN7O2/c1-25(27,16-3-5-18(26)6-4-16)17-13-28-24(29-14-17)33-9-7-32(8-10-33)23-19-11-21(34)22(35-2)12-20(19)30-15-31-23/h3-6,11-15,34H,7-10,27H2,1-2H3/t25-/m0/s1
SMILES: C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OC)O)N
C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OC)O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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