|
Atomistry » Fluorine » PDB 4qte-4rv6 » 4rfz | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 4qte-4rv6 » 4rfz » |
Fluorine in PDB 4rfz: Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-OneEnzymatic activity of Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One
All present enzymatic activity of Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One:
2.7.10.2; Protein crystallography data
The structure of Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One, PDB code: 4rfz
was solved by
A.Kuglstatter,
A.Wong,
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 Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One
(pdb code 4rfz). 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 Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One, PDB code: 4rfz: Fluorine binding site 1 out of 1 in 4rfzGo back to![]() ![]()
Fluorine binding site 1 out
of 1 in the Crystal Structure of Btk Kinase Domain Complexed with 6- (Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5- (Morpholine-4-Carbonyl)-2-Pyridyl]Amino]-6-Oxo-3- Pyridyl]Phenyl]Isoquinolin-1-One
![]() Mono view ![]() Stereo pair view
Reference:
Y.Lou,
Z.K.Sweeney,
A.Kuglstatter,
D.Davis,
D.M.Goldstein,
X.Han,
J.Hong,
B.Kocer,
R.K.Kondru,
R.Litman,
J.Mcintosh,
K.Sarma,
J.Suh,
J.Taygerly,
T.D.Owens.
Finding the Perfect Spot For Fluorine: Improving Potency Up to 40-Fold During A Rational Fluorine Scan of A Bruton'S Tyrosine Kinase (Btk) Inhibitor Scaffold. Bioorg.Med.Chem.Lett. 2014.
Page generated: Tue Jul 15 00:37:57 2025
ISSN: ESSN 1464-3405 PubMed: 25466710 DOI: 10.1016/J.BMCL.2014.11.030 |
Last articlesF in 5JN3F in 5JMX F in 5JMP F in 5JLJ F in 5JJK F in 5JJI F in 5JI6 F in 5JCZ F in 5JHB F in 5JHA |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |