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Fluorine in PDB 4fad: Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor
Enzymatic activity of Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor
All present enzymatic activity of Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor:
2.7.1.153; 2.7.11.1;
2.7.1.153; 2.7.11.1;
Protein crystallography data
The structure of Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor, PDB code: 4fad
was solved by
S.E.Greasley,
D.R.Knighton,
C.M.Lafleur Rogers,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.14 / 2.70 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 144.550, 67.260, 107.600, 90.00, 95.68, 90.00 |
| R / Rfree (%) | 26.2 / 26.5 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor
(pdb code 4fad). 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 Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor, PDB code: 4fad:
In total only one binding site of Fluorine was determined in the Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor, PDB code: 4fad:
Fluorine binding site 1 out of 1 in 4fad
Go back to
Fluorine Binding Sites List in 4fad
Fluorine binding site 1 out
of 1 in the Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor
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 Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KA and Mtor within 5.0Å range:
|
Reference:
P.T.Le,
H.Cheng,
S.Ninkovic,
M.Plewe,
X.Huang,
H.Wang,
S.Bagrodia,
S.Sun,
D.R.Knighton,
C.M.Lafleur Rogers,
A.Pannifer,
S.Greasley,
D.Dalvie,
E.Zhang.
Design and Synthesis of A Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative As A Potent Inhibitor of PI3KALPHA and Mtor Bioorg.Med.Chem.Lett. V. 22 5098 2012.
ISSN: ISSN 0960-894X
PubMed: 22749419
DOI: 10.1016/J.BMCL.2012.05.100
Page generated: Sun Dec 13 12:02:26 2020
ISSN: ISSN 0960-894X
PubMed: 22749419
DOI: 10.1016/J.BMCL.2012.05.100
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