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Fluorine in PDB 1eas: Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones
Enzymatic activity of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones
All present enzymatic activity of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones:
3.4.21.36;
3.4.21.36;
Protein crystallography data
The structure of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones, PDB code: 1eas
was solved by
C.Ceccarelli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 10.00 / 1.80 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 51.950, 57.730, 75.560, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.3 / n/a |
Other elements in 1eas:
The structure of Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones also contains other interesting chemical elements:
| Sodium | (Na) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones
(pdb code 1eas). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones, PDB code: 1eas:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones, PDB code: 1eas:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 1eas
Go back to
Fluorine Binding Sites List in 1eas
Fluorine binding site 1 out
of 3 in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones
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 Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 1eas
Go back to
Fluorine Binding Sites List in 1eas
Fluorine binding site 2 out
of 3 in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones
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 Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 1eas
Go back to
Fluorine Binding Sites List in 1eas
Fluorine binding site 3 out
of 3 in the Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones
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 Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin- 2-One Trifluoromethyl Ketones within 5.0Å range:
|
Reference:
P.R.Bernstein,
D.Andisik,
P.K.Bradley,
C.B.Bryant,
C.Ceccarelli,
J.R.Damewood Jr.,
R.Earley,
P.D.Edwards,
S.Feeney,
B.C.Gomes,
B.J.Kosmider,
G.B.Steelman,
R.M.Thomas,
E.P.Vacek,
C.A.Veale,
J.C.Williams,
D.J.Wolanin,
J.A.Woolson.
Nonpeptidic Inhibitors of Human Leukocyte Elastase. 3. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of Orally Active 3-Amino-6-Phenylpyridin-2-One Trifluoromethyl Ketones. J.Med.Chem. V. 37 3313 1994.
ISSN: ISSN 0022-2623
PubMed: 7932559
DOI: 10.1021/JM00046A016
Page generated: Wed Jul 31 11:10:09 2024
ISSN: ISSN 0022-2623
PubMed: 7932559
DOI: 10.1021/JM00046A016
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