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Chlorine in PDB 3jya: Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Enzymatic activity of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
All present enzymatic activity of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors, PDB code: 3jya
was solved by
V.S.Stoll,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.39 / 2.10 |
| Space group | P 65 |
| Cell size a, b, c (Å), α, β, γ (°) | 96.764, 96.764, 80.794, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 23.3 / 25.7 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
(pdb code 3jya). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors, PDB code: 3jya:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors, PDB code: 3jya:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 3jya
Go back to
Chlorine Binding Sites List in 3jya
Chlorine binding site 1 out
of 2 in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 3jya
Go back to
Chlorine Binding Sites List in 3jya
Chlorine binding site 2 out
of 2 in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors within 5.0Å range:
|
Reference:
Z.F.Tao,
L.Hasvold,
J.Leverson,
E.Han,
R.Guan,
E.F.Johson,
V.S.Stoll,
K.D.Stewart,
G.Stamper,
N.Soni.
Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors To Be Published.
Page generated: Sat Dec 12 09:49:49 2020
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