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Fluorine in PDB 6d20: Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
Enzymatic activity of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
All present enzymatic activity of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors, PDB code: 6d20
was solved by
S.E.Greasley,
E.Johnson,
M.L.Kraus,
C.N.Cronin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.47 / 1.94 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 113.940, 45.810, 79.490, 90.00, 127.04, 90.00 |
| R / Rfree (%) | 17 / 20.7 |
Other elements in 6d20:
The structure of Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors
(pdb code 6d20). 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 Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors, PDB code: 6d20:
In total only one binding site of Fluorine was determined in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors, PDB code: 6d20:
Fluorine binding site 1 out of 1 in 6d20
Go back to
Fluorine Binding Sites List in 6d20
Fluorine binding site 1 out
of 1 in the Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide 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 Crystal Structure of Tyrosine-Protein Kinase Receptor in Complex with 5-(4-Fluorophenyl)Thieno[2,3-D]Pyrimidin-4(3H)-One and 5-{[2,4- Dichloro-5-(Pyridin-2-Yl)Benzene-1-Carbonyl]Amino}-N-(2-Hydroxy-2- Methylpropyl)-1-Phenyl-1H-Pyrazole-3-Carboxamide Inhibitors within 5.0Å range:
|
Reference:
S.K.Bagal,
K.Omoto,
D.C.Blakemore,
P.J.Bungay,
J.G.Bilsland,
P.J.Clarke,
M.S.Corbett,
C.N.Cronin,
J.J.Cui,
R.Dias,
N.J.Flanagan,
S.E.Greasley,
R.Grimley,
E.Johnson,
D.Fengas,
L.Kitching,
M.L.Kraus,
I.Mcalpine,
A.Nagata,
G.J.Waldron,
J.S.Warmus.
Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted Trka Kinase Inhibitors. J. Med. Chem. V. 62 247 2019.
ISSN: ISSN 1520-4804
PubMed: 29672039
DOI: 10.1021/ACS.JMEDCHEM.8B00280
Page generated: Thu Aug 1 18:50:01 2024
ISSN: ISSN 1520-4804
PubMed: 29672039
DOI: 10.1021/ACS.JMEDCHEM.8B00280
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