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Fluorine in PDB 5u7r: Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
Enzymatic activity of Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
All present enzymatic activity of Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones, PDB code: 5u7r
was solved by
I.D.Hoffman,
R.J.Skene,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.40 / 3.33 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.201, 146.137, 110.901, 90.00, 96.03, 90.00 |
| R / Rfree (%) | 20 / 24.1 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
(pdb code 5u7r). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones, PDB code: 5u7r:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones, PDB code: 5u7r:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5u7r
Go back to
Fluorine Binding Sites List in 5u7r
Fluorine binding site 1 out
of 4 in the Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5u7r
Go back to
Fluorine Binding Sites List in 5u7r
Fluorine binding site 2 out
of 4 in the Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5u7r
Go back to
Fluorine Binding Sites List in 5u7r
Fluorine binding site 3 out
of 4 in the Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5u7r
Go back to
Fluorine Binding Sites List in 5u7r
Fluorine binding site 4 out
of 4 in the Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones within 5.0Å range:
|
Reference:
O.Kurasawa,
Y.Oguro,
T.Miyazaki,
M.Homma,
K.Mori,
K.Iwai,
H.Hara,
R.Skene,
I.Hoffman,
A.Ohashi,
S.Yoshida,
T.Ishikawa,
N.Cho.
Identification of A New Class of Potent CDC7 Inhibitors Designed By Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-D]Pyrimidin-4(1H)-Ones. Bioorg. Med. Chem. V. 25 2133 2017.
ISSN: ESSN 1464-3391
PubMed: 28284870
DOI: 10.1016/J.BMC.2017.02.021
Page generated: Thu Aug 1 15:35:34 2024
ISSN: ESSN 1464-3391
PubMed: 28284870
DOI: 10.1016/J.BMC.2017.02.021
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