|
Atomistry » Fluorine » PDB 5kom-5lck » 5ktx | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 5kom-5lck » 5ktx » |
Fluorine in PDB 5ktx: Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)Enzymatic activity of Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
All present enzymatic activity of Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone):
2.3.1.48; Protein crystallography data
The structure of Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone), PDB code: 5ktx
was solved by
J.M.Murray,
C.Noland,
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 Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
(pdb code 5ktx). 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 Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone), PDB code: 5ktx: Fluorine binding site 1 out of 1 in 5ktxGo back to![]() ![]()
Fluorine binding site 1 out
of 1 in the Crebbp Bromodomain in Complex with CPD59 ((S)-1-(3-((2-Fluoro-4-(1- Methyl-1H-Pyrazol-4-Yl)Phenyl)Amino)-1-(Tetrahydrofuran-3-Yl)-6,7- Dihydro-1H-Pyrazolo[4,3-C]Pyridin-5(4H)-Yl)Ethanone)
![]() Mono view ![]() Stereo pair view
Reference:
T.D.Crawford,
F.A.Romero,
K.W.Lai,
V.Tsui,
A.M.Taylor,
G.De Leon Boenig,
C.L.Noland,
J.Murray,
J.Ly,
E.F.Choo,
T.L.Hunsaker,
E.W.Chan,
M.Merchant,
S.Kharbanda,
K.E.Gascoigne,
S.Kaufman,
M.H.Beresini,
J.Liao,
W.Liu,
K.X.Chen,
Z.Chen,
A.R.Conery,
A.Cote,
H.Jayaram,
Y.Jiang,
J.R.Kiefer,
T.Kleinheinz,
Y.Li,
J.Maher,
E.Pardo,
F.Poy,
K.L.Spillane,
F.Wang,
J.Wang,
X.Wei,
Z.Xu,
Z.Xu,
I.Yen,
L.Zawadzke,
X.Zhu,
S.Bellon,
R.Cummings,
A.G.Cochran,
B.K.Albrecht,
S.Magnuson.
Discovery of A Potent and Selective in Vivo Probe (Gne-272) For the Bromodomains of Cbp/EP300. J. Med. Chem. V. 59 10549 2016.
Page generated: Tue Jul 15 04:53:36 2025
ISSN: ISSN 1520-4804 PubMed: 27682507 DOI: 10.1021/ACS.JMEDCHEM.6B01022 |
Last articlesMn in 9LJUMn in 9LJW Mn in 9LJS Mn in 9LJR Mn in 9LJT Mn in 9LJV Mg in 9UA2 Mg in 9R96 Mg in 9VM1 Mg in 9P01 |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |