Fluorine in PDB 8uv0: Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Enzymatic activity of Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
All present enzymatic activity of Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2:
2.7.11.22;
2.7.11.22;
Protein crystallography data
The structure of Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2, PDB code: 8uv0
was solved by
M.C.Deller,
L.B.Epling,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.00 / 1.55 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 53.663, 72.009, 71.913, 90, 90, 90 |
| R / Rfree (%) | 15.5 / 20.3 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
(pdb code 8uv0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2, PDB code: 8uv0:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2, PDB code: 8uv0:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 8uv0
Go back to
Fluorine Binding Sites List in 8uv0
Fluorine binding site 1 out
of 3 in the Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
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 Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2 within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 8uv0
Go back to
Fluorine Binding Sites List in 8uv0
Fluorine binding site 2 out
of 3 in the Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
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 2 of Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2 within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 8uv0
Go back to
Fluorine Binding Sites List in 8uv0
Fluorine binding site 3 out
of 3 in the Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
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 3 of Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2 within 5.0Å range:
|
Reference:
J.R.Hummel,
K.J.Xiao,
J.C.Yang,
L.B.Epling,
K.Mukai,
Q.Ye,
M.Xu,
D.Qian,
L.Huo,
M.Weber,
V.Roman,
Y.Lo,
K.Drake,
K.Stump,
M.Covington,
K.Kapilashrami,
G.Zhang,
M.Ye,
S.Diamond,
S.Yeleswaram,
R.Macarron,
M.C.Deller,
S.Wee,
S.Kim,
X.Wang,
L.Wu,
W.Yao.
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines As Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 38325398
DOI: 10.1021/ACS.JMEDCHEM.3C02287
Page generated: Sat Aug 3 01:12:24 2024
ISSN: ISSN 0022-2623
PubMed: 38325398
DOI: 10.1021/ACS.JMEDCHEM.3C02287
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