Chlorine 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:
| Fluorine | (F) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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 Chlorine was determined in the Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors, PDB code: 7ksi:
Chlorine binding site 1 out of 1 in 7ksi
Go back to
Chlorine Binding Sites List in 7ksi
Chlorine 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 Chlorine with other atoms in the Cl 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: Mon Jul 29 23:43:01 2024
ISSN: ISSN 1948-5875
PubMed: 33488960
DOI: 10.1021/ACSMEDCHEMLETT.0C00533
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