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Atomistry » Fluorine » PDB 2weg-2x2f » 2wf0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 2weg-2x2f » 2wf0 » |
Fluorine in PDB 2wf0: Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-QuinolinecarboxamideEnzymatic activity of Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide
All present enzymatic activity of Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide:
3.4.23.46; Protein crystallography data
The structure of Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide, PDB code: 2wf0
was solved by
N.Charrier,
B.Clarke,
L.Cutler,
E.Demont,
C.Dingwall,
R.Dunsdon,
J.Hawkins,
C.Howes,
J.Hubbard,
I.Hussain,
G.Maile,
R.Matico,
J.Mosley,
A.Naylor,
A.O'brien,
S.Redshaw,
P.Rowland,
V.Soleil,
K.J.Smith,
S.Sweitzer,
P.Theobald,
D.Vesey,
D.S.Walter,
G.Wayne,
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 Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide
(pdb code 2wf0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide, PDB code: 2wf0: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 2wf0Go back to Fluorine Binding Sites List in 2wf0
Fluorine binding site 1 out
of 3 in the Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide
Mono view Stereo pair view
Fluorine binding site 2 out of 3 in 2wf0Go back to Fluorine Binding Sites List in 2wf0
Fluorine binding site 2 out
of 3 in the Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide
Mono view Stereo pair view
Fluorine binding site 3 out of 3 in 2wf0Go back to Fluorine Binding Sites List in 2wf0
Fluorine binding site 3 out
of 3 in the Human Bace-1 in Complex with 4-Ethyl-N-((1S,2R)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)Phenyl)Methyl)Amino)Propyl)-8- (2-Oxo-1-Pyrrolidinyl)-6-Quinolinecarboxamide
Mono view Stereo pair view
Reference:
N.Charrier,
B.Clarke,
L.Cutler,
E.Demont,
C.Dingwall,
R.Dunsdon,
J.Hawkins,
C.Howes,
J.Hubbard,
I.Hussain,
G.Maile,
R.Matico,
J.Mosley,
A.Naylor,
A.O'brien,
S.Redshaw,
P.Rowland,
V.Soleil,
K.J.Smith,
S.Sweitzer,
P.Theobald,
D.Vesey,
D.S.Walter,
G.Wayne.
Second Generation of Bace-1 Inhibitors. Part 1: the Need For Improved Pharmacokinetics. Bioorg.Med.Chem.Lett. V. 19 3664 2009.
Page generated: Sun Dec 13 11:40:59 2020
ISSN: ISSN 0960-894X PubMed: 19428244 DOI: 10.1016/J.BMCL.2009.03.165 |
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