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Atomistry » Chlorine » PDB 5ead-5ehw » 5edq | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 5ead-5ehw » 5edq » |
Chlorine in PDB 5edq: Egfr Kinase (T790M/L858R) with Inhibitor Compound 15: ~{N}-(7- Chloranyl-1~{H}-Indazol-3-Yl)-7,7-Dimethyl-2-(1~{H}-Pyrazol-4-Yl)- 5~{H}-Furo[3,4-D]Pyrimidin-4-AmineEnzymatic activity of Egfr Kinase (T790M/L858R) with Inhibitor Compound 15: ~{N}-(7- Chloranyl-1~{H}-Indazol-3-Yl)-7,7-Dimethyl-2-(1~{H}-Pyrazol-4-Yl)- 5~{H}-Furo[3,4-D]Pyrimidin-4-Amine
All present enzymatic activity of Egfr Kinase (T790M/L858R) with Inhibitor Compound 15: ~{N}-(7- Chloranyl-1~{H}-Indazol-3-Yl)-7,7-Dimethyl-2-(1~{H}-Pyrazol-4-Yl)- 5~{H}-Furo[3,4-D]Pyrimidin-4-Amine:
2.7.10.1; Protein crystallography data
The structure of Egfr Kinase (T790M/L858R) with Inhibitor Compound 15: ~{N}-(7- Chloranyl-1~{H}-Indazol-3-Yl)-7,7-Dimethyl-2-(1~{H}-Pyrazol-4-Yl)- 5~{H}-Furo[3,4-D]Pyrimidin-4-Amine, PDB code: 5edq
was solved by
C.Eigenbrot,
C.Yu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Egfr Kinase (T790M/L858R) with Inhibitor Compound 15: ~{N}-(7- Chloranyl-1~{H}-Indazol-3-Yl)-7,7-Dimethyl-2-(1~{H}-Pyrazol-4-Yl)- 5~{H}-Furo[3,4-D]Pyrimidin-4-Amine
(pdb code 5edq). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Egfr Kinase (T790M/L858R) with Inhibitor Compound 15: ~{N}-(7- Chloranyl-1~{H}-Indazol-3-Yl)-7,7-Dimethyl-2-(1~{H}-Pyrazol-4-Yl)- 5~{H}-Furo[3,4-D]Pyrimidin-4-Amine, PDB code: 5edq: Chlorine binding site 1 out of 1 in 5edqGo back to Chlorine Binding Sites List in 5edq
Chlorine binding site 1 out
of 1 in the Egfr Kinase (T790M/L858R) with Inhibitor Compound 15: ~{N}-(7- Chloranyl-1~{H}-Indazol-3-Yl)-7,7-Dimethyl-2-(1~{H}-Pyrazol-4-Yl)- 5~{H}-Furo[3,4-D]Pyrimidin-4-Amine
Mono view Stereo pair view
Reference:
E.J.Hanan,
M.Baumgardner,
M.C.Bryan,
Y.Chen,
C.Eigenbrot,
P.Fan,
X.H.Gu,
H.La,
S.Malek,
H.E.Purkey,
G.Schaefer,
S.Schmidt,
S.Sideris,
I.Yen,
C.Yu,
T.P.Heffron.
4-Aminoindazolyl-Dihydrofuro[3,4-D]Pyrimidines As Non-Covalent Inhibitors of Mutant Epidermal Growth Factor Receptor Tyrosine Kinase. Bioorg.Med.Chem.Lett. V. 26 534 2016.
Page generated: Sat Dec 12 11:41:04 2020
ISSN: ESSN 1464-3405 PubMed: 26639762 DOI: 10.1016/J.BMCL.2015.11.078 |
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