2026-07-11_00000174
|
ligand
|
9TFD
KIT kinase domain in complex with a pyrrolotriazine-based compound (11);
X-ray diffraction 1.65Å
Protein #1
327 residues (89% resolved)
Raw Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Canonical Sequence ...
GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH
Non polymer #2
A1JVQ
InChI=1S/C25H25N9/c1-31-16-22(15-29-31)21-12-23-24(28-18-30-34(23)17-21)32-7-9-33(10-8-32)25-26-13-20(14-27-25)11-19-5-3-2-4-6-19/h2-6,12-18H,7-11H2,1H3
InChI=1S/C25H25N9/c1-31-16-22(15-29-31)21-12-23-24(28-18-30-34(23)17-21)32-7-9-33(10-8-32)25-26-13-20(14-27-25)11-19-5-3-2-4-6-19/h2-6,12-18H,7-11H2,1H3
SMILES: Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncc(cn5)Cc6ccccc6
Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncc(cn5)Cc6ccccc6
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%