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Atomistry » Chlorine » PDB 4gen-4glo » 4gj2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 4gen-4glo » 4gj2 » |
Chlorine in PDB 4gj2: TYK2 (JH1) in Complex with 2,6-Dichloro-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]BenzamideEnzymatic activity of TYK2 (JH1) in Complex with 2,6-Dichloro-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-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-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide, PDB code: 4gj2
was solved by
M.H.Ultsch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4gj2:
The structure of TYK2 (JH1) in Complex with 2,6-Dichloro-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the TYK2 (JH1) in Complex with 2,6-Dichloro-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide
(pdb code 4gj2). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the TYK2 (JH1) in Complex with 2,6-Dichloro-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide, PDB code: 4gj2: Jump to Chlorine binding site number: 1; 2; Chlorine binding site 1 out of 2 in 4gj2Go back to Chlorine Binding Sites List in 4gj2
Chlorine binding site 1 out
of 2 in the TYK2 (JH1) in Complex with 2,6-Dichloro-N-[2-({[(1R,2R)-2- Fluorocyclopropyl]Carbonyl}Amino)Pyridin-4-Yl]Benzamide
Mono view Stereo pair view
Chlorine binding site 2 out of 2 in 4gj2Go back to Chlorine Binding Sites List in 4gj2
Chlorine binding site 2 out
of 2 in the TYK2 (JH1) in Complex with 2,6-Dichloro-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: Sat Dec 12 10:39:48 2020
ISSN: ISSN 0022-2623 PubMed: 23668484 DOI: 10.1021/JM400266T |
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