2026-09-12_00000102
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ligand
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35UA
Crystal structure of [1,2,4]triazolo[1,5-a]pyridine derivative bound to KIT;
X-ray diffraction 2.18Å
Protein #1
339 residues (91% resolved)
Raw Sequence ...
GPMDPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Canonical Sequence ...
GPMDPTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHI
Non polymer #2
A1DMD
InChI=1S/C20H14Cl2N4O/c21-17-6-5-16(11-18(17)22)25-20(27)9-13-1-3-14(4-2-13)15-7-8-26-19(10-15)23-12-24-26/h1-8,10-12H,9H2,(H,25,27)
InChI=1S/C20H14Cl2N4O/c21-17-6-5-16(11-18(17)22)25-20(27)9-13-1-3-14(4-2-13)15-7-8-26-19(10-15)23-12-24-26/h1-8,10-12H,9H2,(H,25,27)
SMILES: c1cc(ccc1CC(=O)Nc2ccc(c(c2)Cl)Cl)c3ccn4c(c3)ncn4
c1cc(ccc1CC(=O)Nc2ccc(c(c2)Cl)Cl)c3ccn4c(c3)ncn4
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Model
Reference
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