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Atomistry » Fluorine » PDB 7pav-7pzx » 7por | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 7pav-7pzx » 7por » |
Fluorine in PDB 7por: PI3 Kinase Delta in Complex with N-[2-(2-Fluoro-4-{[4-(Propan-2-Yl) Piperazin-1-Yl]Methyl}Phenyl)Pyridin-4-Yl]-2-Methoxy-5-(Morpholin-4- Yl)Pyridine-3-SulfonamideEnzymatic activity of PI3 Kinase Delta in Complex with N-[2-(2-Fluoro-4-{[4-(Propan-2-Yl) Piperazin-1-Yl]Methyl}Phenyl)Pyridin-4-Yl]-2-Methoxy-5-(Morpholin-4- Yl)Pyridine-3-Sulfonamide
All present enzymatic activity of PI3 Kinase Delta in Complex with N-[2-(2-Fluoro-4-{[4-(Propan-2-Yl) Piperazin-1-Yl]Methyl}Phenyl)Pyridin-4-Yl]-2-Methoxy-5-(Morpholin-4- Yl)Pyridine-3-Sulfonamide:
2.7.1.153; Protein crystallography data
The structure of PI3 Kinase Delta in Complex with N-[2-(2-Fluoro-4-{[4-(Propan-2-Yl) Piperazin-1-Yl]Methyl}Phenyl)Pyridin-4-Yl]-2-Methoxy-5-(Morpholin-4- Yl)Pyridine-3-Sulfonamide, PDB code: 7por
was solved by
P.Rowland,
M.Convery,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the PI3 Kinase Delta in Complex with N-[2-(2-Fluoro-4-{[4-(Propan-2-Yl) Piperazin-1-Yl]Methyl}Phenyl)Pyridin-4-Yl]-2-Methoxy-5-(Morpholin-4- Yl)Pyridine-3-Sulfonamide
(pdb code 7por). 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 PI3 Kinase Delta in Complex with N-[2-(2-Fluoro-4-{[4-(Propan-2-Yl) Piperazin-1-Yl]Methyl}Phenyl)Pyridin-4-Yl]-2-Methoxy-5-(Morpholin-4- Yl)Pyridine-3-Sulfonamide, PDB code: 7por: Fluorine binding site 1 out of 1 in 7porGo back to![]() ![]()
Fluorine binding site 1 out
of 1 in the PI3 Kinase Delta in Complex with N-[2-(2-Fluoro-4-{[4-(Propan-2-Yl) Piperazin-1-Yl]Methyl}Phenyl)Pyridin-4-Yl]-2-Methoxy-5-(Morpholin-4- Yl)Pyridine-3-Sulfonamide
![]() Mono view ![]() Stereo pair view
Reference:
K.Down,
A.Amour,
N.A.Anderson,
N.Barton,
S.Campos,
E.P.Cannons,
C.Clissold,
M.A.Convery,
J.J.Coward,
K.Doyle,
B.Duempelfeld,
C.D.Edwards,
M.D.Goldsmith,
J.Krause,
D.N.Mallett,
G.A.Mcgonagle,
V.K.Patel,
J.Rowedder,
P.Rowland,
A.Sharpe,
S.Sriskantharajah,
D.A.Thomas,
D.W.Thomson,
S.Uddin,
J.N.Hamblin,
E.M.Hessel.
Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K Delta with A Novel Binding Mode. J.Med.Chem. 2021.
Page generated: Tue Jul 15 22:50:53 2025
ISSN: ISSN 0022-2623 PubMed: 34510892 DOI: 10.1021/ACS.JMEDCHEM.1C01102 |
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