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Atomistry » Fluorine » PDB 4l3o-4luv » 4loy » |
Fluorine in PDB 4loy: Crystal Structure Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375)Enzymatic activity of Crystal Structure Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375)
All present enzymatic activity of Crystal Structure Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375):
3.4.21.5; Protein crystallography data
The structure of Crystal Structure Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375), PDB code: 4loy
was solved by
C.Stehlin-Gaon,
Z.Bocskei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4loy:
The structure of Crystal Structure Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375) also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375)
(pdb code 4loy). 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 Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375), PDB code: 4loy: Fluorine binding site 1 out of 1 in 4loyGo back to Fluorine Binding Sites List in 4loy
Fluorine binding site 1 out
of 1 in the Crystal Structure Analysis of Thrombin in Complex with Compound D57, 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2- Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1- Yl)- 3-Oxopropyl]Amide (SAR107375)
Mono view Stereo pair view
Reference:
J.Meneyrol,
M.Follmann,
G.Lassalle,
V.Wehner,
G.Barre,
T.Rousseaux,
J.M.Altenburger,
F.Petit,
Z.Bocskei,
H.Schreuder,
N.Alet,
J.P.Herault,
L.Millet,
F.Dol,
P.Florian,
P.Schaeffer,
F.Sadoun,
S.Klieber,
C.Briot,
F.Bono,
J.M.Herbert.
5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl) Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3- Oxopropyl]Amide (SAR107375), A Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem. V. 56 9441 2013.
Page generated: Sun Dec 13 12:07:11 2020
ISSN: ISSN 0022-2623 PubMed: 24175584 DOI: 10.1021/JM4005835 |
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