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Atomistry » Fluorine » PDB 2oh4-2pdk » 2ojj » |
Fluorine in PDB 2ojj: Crystal Structure of ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-CarboxamideEnzymatic activity of Crystal Structure of ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-Carboxamide
All present enzymatic activity of Crystal Structure of ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-Carboxamide:
2.7.11.24; Protein crystallography data
The structure of Crystal Structure of ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-Carboxamide, PDB code: 2ojj
was solved by
X.Xie,
M.D.Jacobs,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 2ojj:
The structure of Crystal Structure of ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-Carboxamide also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-Carboxamide
(pdb code 2ojj). 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 ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-Carboxamide, PDB code: 2ojj: Fluorine binding site 1 out of 1 in 2ojjGo back to Fluorine Binding Sites List in 2ojj
Fluorine binding site 1 out
of 1 in the Crystal Structure of ERK2 in Complex with (S)-N-(1-(3-Chloro-4- Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl)- 1H-Pyrrole-2-Carboxamide
Mono view Stereo pair view
Reference:
A.M.Aronov,
C.Baker,
G.W.Bemis,
J.Cao,
G.Chen,
P.J.Ford,
U.A.Germann,
J.Green,
M.R.Hale,
M.Jacobs,
J.W.Janetka,
F.Maltais,
G.Martinez-Botella,
M.N.Namchuk,
J.Straub,
Q.Tang,
X.Xie.
Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole Erk Inhibitors. J.Med.Chem. V. 50 1280 2007.
Page generated: Sun Dec 13 11:38:28 2020
ISSN: ISSN 0022-2623 PubMed: 17300186 DOI: 10.1021/JM061381F |
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