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Bromine in PDB 8dea: 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: 8dea
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) | 46.46 / 2.21 |
| Space group | P 2 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 44.898, 73.032, 240.864, 90, 90, 90 |
| R / Rfree (%) | 22.5 / 30 |
Bromine Binding Sites:
The binding sites of Bromine atom in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors
(pdb code 8dea). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors, PDB code: 8dea:
Jump to Bromine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Bromine where determined in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors, PDB code: 8dea:
Jump to Bromine binding site number: 1; 2; 3; 4;
Bromine binding site 1 out of 4 in 8dea
Go back to
Bromine Binding Sites List in 8dea
Bromine binding site 1 out
of 4 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 Bromine with other atoms in the Br 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:
|
Bromine binding site 2 out of 4 in 8dea
Go back to
Bromine Binding Sites List in 8dea
Bromine binding site 2 out
of 4 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 Bromine with other atoms in the Br binding
site number 2 of Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors within 5.0Å range:
|
Bromine binding site 3 out of 4 in 8dea
Go back to
Bromine Binding Sites List in 8dea
Bromine binding site 3 out
of 4 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 Bromine with other atoms in the Br binding
site number 3 of Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors within 5.0Å range:
|
Bromine binding site 4 out of 4 in 8dea
Go back to
Bromine Binding Sites List in 8dea
Bromine binding site 4 out
of 4 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 Bromine with other atoms in the Br binding
site number 4 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: Thu Jul 11 05:02:38 2024
ISSN: ESSN 1464-3391
PubMed: 36272185
DOI: 10.1016/J.BMC.2022.117034
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