Fluorine in PDB 8dg6: Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors
Enzymatic activity of Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors
All present enzymatic activity of Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors:
3.4.21.46;
3.4.21.46;
Protein crystallography data
The structure of Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors, PDB code: 8dg6
was solved by
K.Raman,
Y.S.Babu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 37.22 / 1.99 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.507, 44.955, 63.417, 90, 117.31, 90 |
| R / Rfree (%) | 19.7 / 25.1 |
Other elements in 8dg6:
The structure of Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors
(pdb code 8dg6). 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 Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors, PDB code: 8dg6:
In total only one binding site of Fluorine was determined in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors, PDB code: 8dg6:
Fluorine binding site 1 out of 1 in 8dg6
Go back to
Fluorine Binding Sites List in 8dg6
Fluorine binding site 1 out
of 1 in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors within 5.0Å range:
|
Reference:
W.Zhang,
M.Wu,
S.Vadlakonda,
L.Juarez,
X.Cheng,
S.Muppa,
V.Chintareddy,
L.Vogeti,
D.Kellogg-Yelder,
J.Williams,
K.Polach,
X.Chen,
K.Raman,
Y.S.Babu,
P.Kotian.
Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors. Bioorg.Med.Chem. V. 74 17034 2022.
ISSN: ESSN 1464-3391
PubMed: 36272185
DOI: 10.1016/J.BMC.2022.117034
Page generated: Fri Aug 2 17:29:40 2024
ISSN: ESSN 1464-3391
PubMed: 36272185
DOI: 10.1016/J.BMC.2022.117034
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