Het-PDB Navi2 (PDB: 6GQQ)

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Ligands
Code	Name		Style	Show	Link
F8B	~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide				PoSSuM

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Download interaction data: 6GQQ

Code :

6GQQ PDBj RCSB PDB PDBe

Header :

SIGNALING PROTEIN

Title :

Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)

Release Data :

2018-09-19

Compound :

mol_id	molecule	chains	synonym
1	Vascular endothelial growth factor receptor 2	A	VEGFR-2,Fetal liver kinase 1,FLK-1,Kinase insert domain receptor,KDR,Protein-tyrosine kinase receptor flk-1,VEGFR-2,Fetal liver kinase 1,FLK-1,Kinase insert domain receptor,KDR,Protein-tyrosine kinase receptor flk-1
	ec: 2.7.10.1 other_details: Human KDR kinase domain D807-D1171 with an internal deletion of T940-E990, replaced by a single valine

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Spodoptera frugiperda (taxid:7108)
	gene: KDR, FLK1, VEGFR2 expression_system_cell_line: Sf21

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 ( 1.52 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

Chain :

UniProt :

P35968 (VGFR2_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein]	2.7.10.1	PROSITE-ProRule:PRU10028, PubMed:10037737, PubMed:10102632
	-	PROSITE-ProRule:PRU10028, PubMed:10037737, PubMed:10102632

PDB ID: 6GQQ

Hetero Atom Contents

Structure summary

Reaction