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Atomistry » Fluorine » PDB 5lz5-5msa » 5mqy » |
Fluorine in PDB 5mqy: Cathepsin L in Complex with 4-[1,3-Benzodioxol-5-Ylmethyl(2- Phenoxyethyl)Amino]-5-Fluoropyrimidine-2-CarbonitrileEnzymatic activity of Cathepsin L in Complex with 4-[1,3-Benzodioxol-5-Ylmethyl(2- Phenoxyethyl)Amino]-5-Fluoropyrimidine-2-Carbonitrile
All present enzymatic activity of Cathepsin L in Complex with 4-[1,3-Benzodioxol-5-Ylmethyl(2- Phenoxyethyl)Amino]-5-Fluoropyrimidine-2-Carbonitrile:
3.4.22.15; Protein crystallography data
The structure of Cathepsin L in Complex with 4-[1,3-Benzodioxol-5-Ylmethyl(2- Phenoxyethyl)Amino]-5-Fluoropyrimidine-2-Carbonitrile, PDB code: 5mqy
was solved by
A.Kuglstatter,
M.Stihle,
J.Benz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Cathepsin L in Complex with 4-[1,3-Benzodioxol-5-Ylmethyl(2- Phenoxyethyl)Amino]-5-Fluoropyrimidine-2-Carbonitrile
(pdb code 5mqy). 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 Cathepsin L in Complex with 4-[1,3-Benzodioxol-5-Ylmethyl(2- Phenoxyethyl)Amino]-5-Fluoropyrimidine-2-Carbonitrile, PDB code: 5mqy: Fluorine binding site 1 out of 1 in 5mqyGo back to Fluorine Binding Sites List in 5mqy
Fluorine binding site 1 out
of 1 in the Cathepsin L in Complex with 4-[1,3-Benzodioxol-5-Ylmethyl(2- Phenoxyethyl)Amino]-5-Fluoropyrimidine-2-Carbonitrile
Mono view Stereo pair view
Reference:
B.Kuhn,
M.Tichy,
L.Wang,
S.Robinson,
R.E.Martin,
A.Kuglstatter,
J.Benz,
M.Giroud,
T.Schirmeister,
R.Abel,
F.Diederich,
J.Hert.
Prospective Evaluation of Free Energy Calculations For the Prioritization of Cathepsin L Inhibitors. J. Med. Chem. V. 60 2485 2017.
Page generated: Thu Aug 1 11:45:10 2024
ISSN: ISSN 1520-4804 PubMed: 28287264 DOI: 10.1021/ACS.JMEDCHEM.6B01881 |
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