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Fluorine in PDB 7n4q: Bruton'S Tyrosine Kinase in Complex with Compound 45Enzymatic activity of Bruton'S Tyrosine Kinase in Complex with Compound 45
All present enzymatic activity of Bruton'S Tyrosine Kinase in Complex with Compound 45:
2.7.10.2; Protein crystallography data
The structure of Bruton'S Tyrosine Kinase in Complex with Compound 45, PDB code: 7n4q
was solved by
C.M.Metrick,
D.J.Marcotte,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 7n4q:
The structure of Bruton'S Tyrosine Kinase in Complex with Compound 45 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Bruton'S Tyrosine Kinase in Complex with Compound 45
(pdb code 7n4q). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Bruton'S Tyrosine Kinase in Complex with Compound 45, PDB code: 7n4q: Fluorine binding site 1 out of 1 in 7n4qGo back to Fluorine Binding Sites List in 7n4q
Fluorine binding site 1 out
of 1 in the Bruton'S Tyrosine Kinase in Complex with Compound 45
Mono view Stereo pair view
Reference:
B.T.Hopkins,
E.Bame,
N.Bell,
T.Bohnert,
J.K.Bowden-Verhoek,
M.Bui,
M.T.Cancilla,
P.Conlon,
P.Cullen,
D.A.Erlanson,
J.Fan,
T.Fuchs-Knotts,
S.Hansen,
S.Heumann,
T.J.Jenkins,
C.Gua,
Y.Liu,
Y.Liu,
M.Lulla,
D.Marcotte,
I.Marx,
B.Mcdowell,
E.Mertsching,
E.Negrou,
M.J.Romanowski,
D.Scott,
L.Silvian,
W.Yang,
M.Zhong.
Utilizing Structure Based Drug Design and Metabolic Soft Spot Identification to Optimize the in Vitro Potency and in Vivo Pharmacokinetic Properties Leading to the Discovery of Novel Reversible Bruton'S Tyrosine Kinase Inhibitors. Bioorg.Med.Chem. V. 44 16275 2021.
Page generated: Wed Apr 5 00:21:33 2023
ISSN: ESSN 1464-3391 PubMed: 34314938 DOI: 10.1016/J.BMC.2021.116275 |
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