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Fluorine in PDB 6edl: Halk in Complex with Compound 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-AmineEnzymatic activity of Halk in Complex with Compound 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-Amine
All present enzymatic activity of Halk in Complex with Compound 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-Amine:
2.7.10.1; Protein crystallography data
The structure of Halk in Complex with Compound 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-Amine, PDB code: 6edl
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 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-Amine
(pdb code 6edl). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Halk in Complex with Compound 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-Amine, PDB code: 6edl: Jump to Fluorine binding site number: 1; 2; Fluorine binding site 1 out of 2 in 6edlGo back to Fluorine Binding Sites List in 6edl
Fluorine binding site 1 out
of 2 in the Halk in Complex with Compound 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-Amine
Mono view Stereo pair view
Fluorine binding site 2 out of 2 in 6edlGo back to Fluorine Binding Sites List in 6edl
Fluorine binding site 2 out
of 2 in the Halk in Complex with Compound 1 (S)-N-(1-(2,4-Difluorophenyl)Ethyl)-3- (3-Methyl-1H-Pyrazol-5-Yl)Imidazo[1,2-B]Pyridazin-6-Amine
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: Sun Dec 13 12:49:13 2020
ISSN: ISSN 0022-2623 PubMed: 31009559 DOI: 10.1021/ACS.JMEDCHEM.8B01630 |
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