2026-07-11_00000179
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ligand
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9TFI
KIT kinase domain in complex with a 6,7-bis(2-methoxyethoxy)quinazoline-based compound (33);
X-ray diffraction 1.90Å
Protein #1
327 residues (89% resolved)
Raw Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Canonical Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Non polymer #2
A1JVV
InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
SMILES: COCCOc1cc2c(cc1OCCOC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
COCCOc1cc2c(cc1OCCOC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%