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Fluorine in PDB 7ksi: Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Enzymatic activity of Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
All present enzymatic activity of Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors:
2.7.11.24;
2.7.11.24;
Protein crystallography data
The structure of Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors, PDB code: 7ksi
was solved by
H.Park,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 53.70 / 1.73 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 52.133, 71.086, 107.398, 90, 90, 90 |
| R / Rfree (%) | 22 / 25.5 |
Other elements in 7ksi:
The structure of Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
(pdb code 7ksi). 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 Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors, PDB code: 7ksi:
In total only one binding site of Fluorine was determined in the Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors, PDB code: 7ksi:
Fluorine binding site 1 out of 1 in 7ksi
Go back to
Fluorine Binding Sites List in 7ksi
Fluorine binding site 1 out
of 1 in the Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
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 Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors within 5.0Å range:
|
Reference:
Y.Feng,
H.Park,
L.Bauer,
J.C.Ryu,
S.O.Yoon.
Thiophene-Pyrazolourea Derivatives As Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors. Acs Med.Chem.Lett. V. 12 24 2021.
ISSN: ISSN 1948-5875
PubMed: 33488960
DOI: 10.1021/ACSMEDCHEMLETT.0C00533
Page generated: Fri Aug 2 08:29:50 2024
ISSN: ISSN 1948-5875
PubMed: 33488960
DOI: 10.1021/ACSMEDCHEMLETT.0C00533
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