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Chlorine in PDB 4i12: Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
Enzymatic activity of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
All present enzymatic activity of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors:
3.4.23.46;
3.4.23.46;
Protein crystallography data
The structure of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors, PDB code: 4i12
was solved by
J.C.Lougheed,
E.Brecht,
N.H.Yao,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 51.85 / 1.78 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.458, 103.122, 98.835, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 22.8 / 28.3 |
Other elements in 4i12:
The structure of Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors also contains other interesting chemical elements:
| Zinc | (Zn) | 3 atoms |
| Sodium | (Na) | 2 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
(pdb code 4i12). 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 Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors, PDB code: 4i12:
In total only one binding site of Chlorine was determined in the Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors, PDB code: 4i12:
Chlorine binding site 1 out of 1 in 4i12
Go back to
Chlorine Binding Sites List in 4i12
Chlorine binding site 1 out
of 1 in the Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors
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 Design and Synthesis of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors within 5.0Å range:
|
Reference:
Y.Z.Xu,
S.Yuan,
S.Bowers,
R.K.Hom,
W.Chan,
H.L.Sham,
Y.L.Zhu,
P.Beroza,
H.Pan,
E.Brecht,
N.Yao,
J.Lougheed,
J.Yan,
D.Tam,
Z.Ren,
L.Ruslim,
M.P.Bova,
D.R.Artis.
Design and Synthesis of Thiophene Dihydroisoquinolines As Novel BACE1 Inhibitors. Bioorg.Med.Chem.Lett. V. 23 3075 2013.
ISSN: ISSN 0960-894X
PubMed: 23570791
DOI: 10.1016/J.BMCL.2013.03.009
Page generated: Fri Jul 11 16:38:35 2025
ISSN: ISSN 0960-894X
PubMed: 23570791
DOI: 10.1016/J.BMCL.2013.03.009
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