|
Atomistry » Fluorine » PDB 6e69-6elo » 6ebw | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 6e69-6elo » 6ebw » |
Fluorine in PDB 6ebw: Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)MethanoneEnzymatic activity of Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)Methanone
All present enzymatic activity of Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)Methanone:
2.7.10.1; Protein crystallography data
The structure of Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)Methanone, PDB code: 6ebw
was solved by
W.Lane,
K.Saikatendu,
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 Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)Methanone
(pdb code 6ebw). 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 Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)Methanone, PDB code: 6ebw: Fluorine binding site 1 out of 1 in 6ebwGo back to Fluorine Binding Sites List in 6ebw
Fluorine binding site 1 out
of 1 in the Halk in Complex with Compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-Yl) Ethyl)Amino)-1-(3-Methyl-1H-Pyrazol-5-Yl)-1H-Pyrrolo[2,3-B]Pyridin-3- Yl)(Morpholin-4-Yl)Methanone
Mono view Stereo pair view
Reference:
M.Fushimi,
I.Fujimori,
T.Wakabayashi,
T.Hasui,
Y.Kawakita,
K.Imamura,
T.Kato,
M.Murakami,
T.Ishii,
Y.Kikko,
M.Kasahara,
A.Nakatani,
Y.Hiura,
M.Miyamoto,
K.Saikatendu,
H.Zou,
S.W.Lane,
J.D.Lawson,
H.Imoto.
Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-Yl-1 H-Pyrrolo[2,3- B]Pyridines As Anaplastic Lymphoma Kinase (Alk) Inhibitors. J.Med.Chem. V. 62 4915 2019.
Page generated: Thu Aug 1 19:29:02 2024
ISSN: ISSN 0022-2623 PubMed: 31009559 DOI: 10.1021/ACS.JMEDCHEM.8B01630 |
Last articlesZn in 9JPJZn in 9JP7 Zn in 9JPK Zn in 9JPL Zn in 9GN6 Zn in 9GN7 Zn in 9GKU Zn in 9GKW Zn in 9GKX Zn in 9GL0 |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |