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Chlorine in PDB 3kl6: Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor
Enzymatic activity of Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor
All present enzymatic activity of Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor:
3.4.21.6;
3.4.21.6;
Protein crystallography data
The structure of Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor, PDB code: 3kl6
was solved by
K.Aertgeerts,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 35.17 / 1.45 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.002, 70.345, 78.546, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.4 / 21.2 |
Other elements in 3kl6:
The structure of Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor also contains other interesting chemical elements:
| Calcium | (Ca) | 3 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor
(pdb code 3kl6). 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 Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor, PDB code: 3kl6:
In total only one binding site of Chlorine was determined in the Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor, PDB code: 3kl6:
Chlorine binding site 1 out of 1 in 3kl6
Go back to
Chlorine Binding Sites List in 3kl6
Chlorine binding site 1 out
of 1 in the Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor
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 Discovery of Tetrahydropyrimidin-2(1H)-One Derivative Tak-442: A Potent, Selective and Orally Active Factor Xa Inhibitor within 5.0Å range:
|
Reference:
T.Fujimoto,
Y.Imaeda,
N.Konishi,
K.Hiroe,
M.Kawamura,
G.P.Textor,
K.Aertgeerts,
K.Kubo.
Discovery of A Tetrahydropyrimidin-2(1H)-One Derivative (Tak-442) As A Potent, Selective, and Orally Active Factor Xa Inhibitor. J.Med.Chem. V. 53 3517 2010.
ISSN: ISSN 0022-2623
PubMed: 20355714
DOI: 10.1021/JM901699J
Page generated: Sat Jul 20 22:43:11 2024
ISSN: ISSN 0022-2623
PubMed: 20355714
DOI: 10.1021/JM901699J
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