2026-08-01_00000019
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ligand
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12FJ
Crystal structure of 6-fluoropyrazolo[1,5-a]pyridine derivative bound to KIT;
X-ray diffraction 2.63Å
Protein #1
339 residues (92% resolved)
Raw Sequence ...
GPMDPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Canonical Sequence ...
GPMDPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Non polymer #2
A1DJF
InChI=1S/C20H16F2N6O/c1-10-6-15(22)13(19-25-18(26-27-19)11-2-3-11)7-16(10)24-20(29)14-8-23-28-9-12(21)4-5-17(14)28/h4-9,11H,2-3H2,1H3,(H,24,29)(H,25,26,27)
InChI=1S/C20H16F2N6O/c1-10-6-15(22)13(19-25-18(26-27-19)11-2-3-11)7-16(10)24-20(29)14-8-23-28-9-12(21)4-5-17(14)28/h4-9,11H,2-3H2,1H3,(H,24,29)(H,25,26,27)
SMILES: Cc1cc(c(cc1NC(=O)c2cnn3c2ccc(c3)F)c4[nH]c(nn4)C5CC5)F
Cc1cc(c(cc1NC(=O)c2cnn3c2ccc(c3)F)c4[nH]c(nn4)C5CC5)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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