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Iron in PDB 5k7k: Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771
Enzymatic activity of Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771
All present enzymatic activity of Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771:
1.14.13.80;
1.14.13.80;
Protein crystallography data
The structure of Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771, PDB code: 5k7k
was solved by
N.Swain,
J.Chrencik,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 17.33 / 2.30 |
| Space group | H 3 |
| Cell size a, b, c (Å), α, β, γ (°) | 91.690, 91.690, 169.880, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 22.4 / 27.2 |
Other elements in 5k7k:
The structure of Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771 also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Iron Binding Sites:
The binding sites of Iron atom in the Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771
(pdb code 5k7k). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771, PDB code: 5k7k:
In total only one binding site of Iron was determined in the Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771, PDB code: 5k7k:
Iron binding site 1 out of 1 in 5k7k
Go back to
Iron Binding Sites List in 5k7k
Iron binding site 1 out
of 1 in the Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Design and Optimization of Biaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7: Discovery of Clinical Candidate Pf-05089771 within 5.0Å range:
|
Reference:
N.A.Swain,
D.Batchelor,
S.Beaudoin,
B.M.Bechle,
P.A.Bradley,
A.D.Brown,
B.Brown,
K.J.Butcher,
R.P.Butt,
M.L.Chapman,
S.Denton,
D.Ellis,
S.R.G.Galan,
S.M.Gaulier,
B.S.Greener,
M.J.De Groot,
M.S.Glossop,
I.K.Gurrell,
J.Hannam,
M.S.Johnson,
Z.Lin,
C.J.Markworth,
B.E.Marron,
D.S.Millan,
S.Nakagawa,
A.Pike,
D.Printzenhoff,
D.J.Rawson,
S.J.Ransley,
S.M.Reister,
K.Sasaki,
R.I.Storer,
P.A.Stupple,
C.W.West.
Discovery of Clinical Candidate 4-[2-(5-Amino-1H-Pyrazol-4-Yl) -4-Chlorophenoxy]-5-Chloro-2-Fluoro-N-1, 3-Thiazol-4-Ylbenzenesulfonamide (Pf-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides As Selective Inhibitors of NAV1.7. J. Med. Chem. V. 60 7029 2017.
ISSN: ISSN 1520-4804
PubMed: 28682065
DOI: 10.1021/ACS.JMEDCHEM.7B00598
Page generated: Sun Dec 13 16:05:07 2020
ISSN: ISSN 1520-4804
PubMed: 28682065
DOI: 10.1021/ACS.JMEDCHEM.7B00598
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