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Fluorine in PDB 3fls: P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One
Enzymatic activity of P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One
All present enzymatic activity of P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One:
2.7.11.24;
2.7.11.24;
Protein crystallography data
The structure of P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One, PDB code: 3fls
was solved by
A.Kuglstatter,
M.Ghate,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 31.91 / 2.30 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 45.666, 86.759, 127.628, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 25 / 29.4 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One
(pdb code 3fls). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One, PDB code: 3fls:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One, PDB code: 3fls:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 3fls
Go back to
Fluorine Binding Sites List in 3fls
Fluorine binding site 1 out
of 2 in the P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One
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 P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 3fls
Go back to
Fluorine Binding Sites List in 3fls
Fluorine binding site 2 out
of 2 in the P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One
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 P38 Kinase Crystal Structure in Complex with 6-(2,4-Difluoro-Phenoxy)- 2-((R)-2-Methanesulfonyl-1-Methyl-Ethylamino)-8-Methyl-8H-Pyrido[2,3- D]Pyrimidin-7-One within 5.0Å range:
|
Reference:
M.Soth,
A.Kuglstatter,
D.Goldstein.
The Discovery of Pamapimod, R1503 and R1487 As Orally Bioavailable and Highly Selective Inhibitors of P38 Map Kinase To Be Published.
Page generated: Wed Jul 31 18:38:42 2024
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