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Atomistry » Fluorine » PDB 4fxq-4goa » 4gj3 » |
Fluorine in PDB 4gj3: TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]BenzamideEnzymatic activity of TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide
All present enzymatic activity of TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide:
2.7.10.2; Protein crystallography data
The structure of TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide, PDB code: 4gj3
was solved by
M.H.Ultsch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4gj3:
The structure of TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide
(pdb code 4gj3). 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 TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide, PDB code: 4gj3: Fluorine binding site 1 out of 1 in 4gj3Go back to Fluorine Binding Sites List in 4gj3
Fluorine binding site 1 out
of 1 in the TYK2 (JH1) in Complex with 2,6-Dichloro-4-Cyano-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide
Mono view Stereo pair view
Reference:
J.Liang,
A.Van Abbema,
M.Balazs,
K.Barrett,
L.Berezhkovsky,
W.Blair,
C.Chang,
D.Delarosa,
J.Devoss,
J.Driscoll,
C.Eigenbrot,
N.Ghilardi,
P.Gibbons,
J.Halladay,
A.Johnson,
P.B.Kohli,
Y.Lai,
Y.Liu,
J.Lyssikatos,
P.Mantik,
K.Menghrajani,
J.Murray,
I.Peng,
A.Sambrone,
S.Shia,
Y.Shin,
J.Smith,
S.Sohn,
V.Tsui,
M.Ultsch,
L.C.Wu,
Y.Xiao,
W.Yang,
J.Young,
B.Zhang,
B.Y.Zhu,
S.Magnuson.
Lead Optimization of A 4-Aminopyridine Benzamide Scaffold to Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem. V. 56 4521 2013.
Page generated: Sun Dec 13 12:03:18 2020
ISSN: ISSN 0022-2623 PubMed: 23668484 DOI: 10.1021/JM400266T |
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