Brand  (β version)

PDB ID: 6GQJ

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Ligands
Code Name Style Show Link
F82 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide PoSSuM
Non-standard Residues
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Structure summary

Code : 6GQJ   PDBj   RCSB PDB   PDBe
Header : SIGNALING PROTEIN
Title : Crystal structure of human C-KIT kinase domain in complex with AZD3229-analogue (compound 18)
Release Data : 2018-09-19
Compound :
mol_id molecule chains synonym
1 Mast/stem cell growth factor receptor Kit A,B SCFR,Piebald trait protein,PBT,Proto-oncogene c-Kit,Tyrosine-protein kinase Kit,p145 c-kit,v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog
ec: 2.7.10.1
mutation: I563S, V569S, Y609Q, L631S, M651E, I662H, D768H, R804N, V825D, C844S, L890S, H894Y, L912D, L923D
other_details: Human c-KIT kinase domain (P551-H934) bearing surface mutations to optimise protein expression (I563S, V569S, Y609Q, L631S, M651E, I662H, D768H, R804N, V825D, C844S, L890S, H894Y, L912D, L923D), and the kinase insert domain(S688-D765) deleted and replaced with the sequence EFVPYKVAPEDLYKDFLT
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: KIT, SCFR
expression_system_strain: Star BL21 (DE3)
Authors : Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Keywords : receptor tyrosine kinase, inhibitor, oncology, gastrointestinal stromal tumour, structure-based drug design, SIGNALING PROTEIN
Exp. method : X-RAY DIFFRACTION ( 2.33 Å )
Citation :

Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.

Kettle, J.G.,Anjum, R.,Barry, E.  et al.
(2018)  J. Med. Chem.  61 : 8797 - 8810

PubMed: 30204441
DOI: 10.1021/acs.jmedchem.8b00938

Reaction

Chain : A, B
UniProt : P10721 (KIT_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.10.1 PROSITE-ProRule:PRU10028, PubMed:17662946, PubMed:19164557, PubMed:21640708, PubMed:2448137
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