|
Atomistry » Fluorine » PDB 3wyl-460d » 3wyl | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 3wyl-460d » 3wyl » |
Fluorine in PDB 3wyl: Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-OneEnzymatic activity of Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
All present enzymatic activity of Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One:
3.1.4.17; 3.1.4.35; Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One, PDB code: 3wyl
was solved by
H.Oki,
Y.Hayano,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 3wyl:
The structure of Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
(pdb code 3wyl). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One, PDB code: 3wyl: Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; Fluorine binding site 1 out of 6 in 3wylGo back to Fluorine Binding Sites List in 3wyl
Fluorine binding site 1 out
of 6 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
Mono view Stereo pair view
Fluorine binding site 2 out of 6 in 3wylGo back to Fluorine Binding Sites List in 3wyl
Fluorine binding site 2 out
of 6 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
Mono view Stereo pair view
Fluorine binding site 3 out of 6 in 3wylGo back to Fluorine Binding Sites List in 3wyl
Fluorine binding site 3 out
of 6 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
Mono view Stereo pair view
Fluorine binding site 4 out of 6 in 3wylGo back to Fluorine Binding Sites List in 3wyl
Fluorine binding site 4 out
of 6 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
Mono view Stereo pair view
Fluorine binding site 5 out of 6 in 3wylGo back to Fluorine Binding Sites List in 3wyl
Fluorine binding site 5 out
of 6 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
Mono view Stereo pair view
Fluorine binding site 6 out of 6 in 3wylGo back to Fluorine Binding Sites List in 3wyl
Fluorine binding site 6 out
of 6 in the Crystal Structure of the Catalytic Domain of PDE10A Complexed with 5- Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-1-(3-(Trifluoromethyl)Phenyl) Pyridazin-4(1H)-One
Mono view Stereo pair view
Reference:
J.Kunitomo,
M.Yoshikawa,
M.Fushimi,
A.Kawada,
F.J.Quinn,
H.Oki,
H.Kokubo,
M.Kondo,
K.Nakashima,
N.Kamiguchi,
K.Suzuki,
H.Kimura,
T.Taniguchi.
Discovery of 1‑[2-Fluoro-4-(1H‑Pyrazol-1-Yl)Phenyl]-5- Methoxy-3-(1-Pheny‑1H‑Pyrazol-5-Yl)Pyridazin- 4(1H)‑One (Tak-063), A Highly Potent, Selective, and Orally Active Phosphodiesterase 10A (PDE10A)Inhibitor J.Med.Chem. 2014.
Page generated: Wed Jul 31 23:41:27 2024
ISSN: ISSN 0022-2623 DOI: 10.1021/JM5013648 |
Last articlesZn in 9JYWZn in 9IR4 Zn in 9IR3 Zn in 9GMX Zn in 9GMW Zn in 9JEJ Zn in 9ERF Zn in 9ERE Zn in 9EGV Zn in 9EGW |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |