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Atomistry » Fluorine » PDB 4zzj-5ah8 » 5acc | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 4zzj-5ah8 » 5acc » |
Fluorine in PDB 5acc: A Novel Oral Selective Estrogen Receptor Down-Regulator, AZD9496, Drives Tumour Growth Inhibition in Estrogen Receptor Positive and ESR1 Mutant ModelsProtein crystallography data
The structure of A Novel Oral Selective Estrogen Receptor Down-Regulator, AZD9496, Drives Tumour Growth Inhibition in Estrogen Receptor Positive and ESR1 Mutant Models, PDB code: 5acc
was solved by
R.A.Norman,
H.M.Weir,
R.H.Bradbury,
M.Lawson,
A.A.Rabow,
D.Buttar,
R.J.Callis,
J.O.Curwen,
C.De Almeida,
P.Ballard,
M.Hulse,
C.S.Donald,
L.J.L.Feron,
H.Gingell,
G.Karoutchi,
P.Macfaul,
T.Moss,
S.E.Pearson,
M.Tonge,
G.Davies,
G.E.Walker,
Z.Wilson,
R.Rowlinson,
S.Powell,
P.Hemsley,
E.Linney,
H.Campbell,
Z.Ghazoui,
C.Sadler,
G.Richmond,
E.Pazolli,
A.M.Mazzola,
C.Dcruz,
C.De Savi,
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 A Novel Oral Selective Estrogen Receptor Down-Regulator, AZD9496, Drives Tumour Growth Inhibition in Estrogen Receptor Positive and ESR1 Mutant Models
(pdb code 5acc). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the A Novel Oral Selective Estrogen Receptor Down-Regulator, AZD9496, Drives Tumour Growth Inhibition in Estrogen Receptor Positive and ESR1 Mutant Models, PDB code: 5acc: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 5accGo back to Fluorine Binding Sites List in 5acc
Fluorine binding site 1 out
of 3 in the A Novel Oral Selective Estrogen Receptor Down-Regulator, AZD9496, Drives Tumour Growth Inhibition in Estrogen Receptor Positive and ESR1 Mutant Models
Mono view Stereo pair view
Fluorine binding site 2 out of 3 in 5accGo back to Fluorine Binding Sites List in 5acc
Fluorine binding site 2 out
of 3 in the A Novel Oral Selective Estrogen Receptor Down-Regulator, AZD9496, Drives Tumour Growth Inhibition in Estrogen Receptor Positive and ESR1 Mutant Models
Mono view Stereo pair view
Fluorine binding site 3 out of 3 in 5accGo back to Fluorine Binding Sites List in 5acc
Fluorine binding site 3 out
of 3 in the A Novel Oral Selective Estrogen Receptor Down-Regulator, AZD9496, Drives Tumour Growth Inhibition in Estrogen Receptor Positive and ESR1 Mutant Models
Mono view Stereo pair view
Reference:
C.De Savi,
R.H.Bradbury,
A.A.Rabow,
R.A.Norman,
C.De Almeida,
D.M.Andrews,
P.Ballard,
D.Buttar,
R.J.Callis,
G.S.Currie,
J.O.Curwen,
C.D.Davies,
C.S.Donald,
L.J.L.Feron,
H.Gingell,
S.C.Glossop,
B.R.Hayter,
S.Hussain,
G.Karoutchi,
S.G.Lamont,
P.Macfaul,
T.A.Moss,
S.E.Pearson,
M.Tonge,
G.E.Walker,
H.M.Weir,
Z.Wilson.
Optimization of A Novel Binding Motif to (E)-3-(3,5- Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (AZD9496), A Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem. V. 58 8128 2015.
Page generated: Sun Dec 13 12:18:02 2020
ISSN: ISSN 0022-2623 PubMed: 26407012 DOI: 10.1021/ACS.JMEDCHEM.5B00984 |
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