Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59328 | Target Info | |||
| Target Name | Epidermal growth factor receptor (EGFR) | ||||
| Synonyms | Receptor tyrosine-protein kinase erbB-1; Proto-oncogene c-ErbB-1; HER1; ERBB1; ERBB | ||||
| Target Type | Successful Target | ||||
| Gene Name | EGFR | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | PD-174265 | Ligand Info | |||
| Canonical SMILES | CCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br | ||||
| InChI | 1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22) | ||||
| InChIKey | WUPUZEMRHDROEO-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 4709 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4LRM EGFR D770_N771insNPG in complex with PD168393 | ||||||
| Method | X-ray diffraction | Resolution | 3.53 Å | Mutation | No | [1] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPGNP775 HVCRLLGICL785 TSTVQLITQL795 MPFGCLLDYV 805 REHKDNIGSQ815 YLLNWCVQIA825 KGMNYLEDRR835 LVHRDLAARN845 VLVKTPQHVK 855 ITDFGLAKLL865 GAEEKEYHAE875 GGKVPIKWMA885 LESILHRIYT895 HQSDVWSYGV 905 TVWELMTFGS915 KPYDGIPASE925 ISSILEKGER935 LPQPPICTID945 VYMIMVKCWM 955 IDADSRPKFR965 ELIIEFSKMA975 RDPQRYLVIQ985 GDERMHLPSP995 TDSNFYR |
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LEU718
3.597
GLY719
3.919
VAL726
3.840
ALA743
3.405
ILE744
4.003
LYS745
3.386
GLU762
3.896
LEU791
3.172
ILE792
4.186
THR793
3.155
|
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| PDB ID: 4LL0 EGFR L858R/T790M in complex with PD168393 | ||||||
| Method | X-ray diffraction | Resolution | 4.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GRAKLLVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT909 FGSKPYDGIP 919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP959 KFRELIIEFS 969 KMARDPQRYL979 VIQGDERMEE1005 DMDVVDADEY1016 L
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural, biochemical, and clinical characterization of epidermal growth factor receptor (EGFR) exon 20 insertion mutations in lung cancer. Sci Transl Med. 2013 Dec 18;5(216):216ra177. | ||||
| REF 2 | Mechanism for activation of mutated epidermal growth factor receptors in lung cancer. Proc Natl Acad Sci U S A. 2013 Sep 17;110(38):E3595-604. | ||||
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