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Atomistry » Fluorine » PDB 7m8o-7mmh » 7mce » |
Fluorine in PDB 7mce: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with 2-{(7P)-7-(1,4-Dimethyl-1H-1,2,3-Triazol-5-Yl)-8-Fluoro-5-[(S)- (Oxan-4-Yl)(Phenyl)Methyl]-5H-Pyrido[3,2-B]Indol-3-Yl}Propan-2-OlProtein crystallography data
The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with 2-{(7P)-7-(1,4-Dimethyl-1H-1,2,3-Triazol-5-Yl)-8-Fluoro-5-[(S)- (Oxan-4-Yl)(Phenyl)Methyl]-5H-Pyrido[3,2-B]Indol-3-Yl}Propan-2-Ol, PDB code: 7mce
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with 2-{(7P)-7-(1,4-Dimethyl-1H-1,2,3-Triazol-5-Yl)-8-Fluoro-5-[(S)- (Oxan-4-Yl)(Phenyl)Methyl]-5H-Pyrido[3,2-B]Indol-3-Yl}Propan-2-Ol
(pdb code 7mce). 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 Crystal Structure of the First Bromodomain of Human BRD4 in Complex with 2-{(7P)-7-(1,4-Dimethyl-1H-1,2,3-Triazol-5-Yl)-8-Fluoro-5-[(S)- (Oxan-4-Yl)(Phenyl)Methyl]-5H-Pyrido[3,2-B]Indol-3-Yl}Propan-2-Ol, PDB code: 7mce: Fluorine binding site 1 out of 1 in 7mceGo back to![]() ![]()
Fluorine binding site 1 out
of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with 2-{(7P)-7-(1,4-Dimethyl-1H-1,2,3-Triazol-5-Yl)-8-Fluoro-5-[(S)- (Oxan-4-Yl)(Phenyl)Methyl]-5H-Pyrido[3,2-B]Indol-3-Yl}Propan-2-Ol
![]() Mono view ![]() Stereo pair view
Reference:
M.Hill,
C.Quesnelle,
J.Tokarski,
H.Fang,
C.Fanslau,
Z.Haarhoff,
M.Kramer,
S.Madari,
A.Wiebesiek,
J.Morrison,
J.Simmermacher-Mayer,
M.Sinz,
R.Westhouse,
C.Xie,
J.Zhao,
L.Huang,
S.Sheriff,
C.Yan,
F.Marsilio,
G.Everlof,
T.Zvyaga,
F.Lee,
A.Gavai,
A.Degnan.
Development of Bet Inhibitors As Potential Treatments For Cancer: A New Carboline Chemotype Bioorg.Med.Chem.Lett. 2021.
Page generated: Tue Jul 15 21:38:04 2025
ISSN: ESSN 1464-3405 DOI: 10.1016/J.BMCL.2021.128376 |
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