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Bromine in PDB 8d95: 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: 8d95
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) | 35.19 / 2.17 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 76.302, 44.8, 62.132, 90, 114.39, 90 |
| R / Rfree (%) | 20.2 / 26.3 |
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 8d95). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors, PDB code: 8d95:
In total only one binding site of Bromine was determined in the Scaffold Hopping Via Ring Opening Enables Identification of Acyclic Compounds As New Complement Factor D Inhibitors, PDB code: 8d95:
Bromine binding site 1 out of 1 in 8d95
Go back to
Bromine Binding Sites List in 8d95
Bromine 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 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:
|
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 05:01:35 2024
ISSN: ESSN 1464-3391
PubMed: 36272185
DOI: 10.1016/J.BMC.2022.117034
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