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Fluorine in PDB 6m9l: Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10
Enzymatic activity of Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10
All present enzymatic activity of Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10:
2.7.11.24;
2.7.11.24;
Protein crystallography data
The structure of Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10, PDB code: 6m9l
was solved by
W.Lane,
K.Okada,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.38 / 2.45 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 68.674, 71.046, 74.562, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 21.3 / 27 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10
(pdb code 6m9l). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10, PDB code: 6m9l:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10, PDB code: 6m9l:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 6m9l
Go back to
Fluorine Binding Sites List in 6m9l
Fluorine binding site 1 out
of 2 in the Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10
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 Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10 within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 6m9l
Go back to
Fluorine Binding Sites List in 6m9l
Fluorine binding site 2 out
of 2 in the Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10
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 Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridine-2-One Based P38 Map Kinase Inhibitors By Scaffold Hopping - Compound 10 within 5.0Å range:
|
Reference:
A.Kaieda,
M.Takahashi,
H.Fukuda,
R.Okamoto,
S.Morimoto,
M.Gotoh,
T.Miyazaki,
Y.Hori,
S.Unno,
T.Kawamoto,
T.Tanaka,
S.Itono,
T.Takagi,
H.Sugimoto,
K.Okada,
G.Snell,
R.Bertsch,
J.Nguyen,
B.C.Sang,
S.Miwatashi.
Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-B]Pyridin-2-One-Based P38 Map Kinase Inhibitors: Part 1. Chemmedchem V. 14 1022 2019.
ISSN: ESSN 1860-7187
PubMed: 30945818
DOI: 10.1002/CMDC.201900129
Page generated: Thu Aug 1 22:12:59 2024
ISSN: ESSN 1860-7187
PubMed: 30945818
DOI: 10.1002/CMDC.201900129
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