Fluorine in PDB 6fmd: Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold
Enzymatic activity of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold
All present enzymatic activity of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold:
1.3.5.2;
1.3.5.2;
Protein crystallography data
The structure of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold, PDB code: 6fmd
was solved by
P.Goyal,
M.Jarva,
M.Andersson,
M.L.Lolli,
R.Friemann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 78.32 / 1.58 |
| Space group | P 32 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.441, 90.441, 122.446, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 13.7 / 16 |
Other elements in 6fmd:
The structure of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold
(pdb code 6fmd). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold, PDB code: 6fmd:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold, PDB code: 6fmd:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 6fmd
Go back to
Fluorine Binding Sites List in 6fmd
Fluorine binding site 1 out
of 4 in the Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 6fmd
Go back to
Fluorine Binding Sites List in 6fmd
Fluorine binding site 2 out
of 4 in the Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 6fmd
Go back to
Fluorine Binding Sites List in 6fmd
Fluorine binding site 3 out
of 4 in the Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 6fmd
Go back to
Fluorine Binding Sites List in 6fmd
Fluorine binding site 4 out
of 4 in the Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Targeting Myeloid Differentiation Using Potent Human Dihydroorotate Dehydrogenase (Hdhodh) Inhibitors Based on 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold within 5.0Å range:
|
Reference:
S.Sainas,
A.C.Pippione,
E.Lupino,
M.Giorgis,
P.Circosta,
V.Gaidano,
P.Goyal,
D.Bonanni,
B.Rolando,
A.Cignetti,
A.Ducime,
M.Andersson,
M.Jarva,
R.Friemann,
M.Piccinini,
C.Ramondetti,
B.Buccinna,
S.Al-Karadaghi,
D.Boschi,
G.Saglio,
M.L.Lolli.
Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- A]Pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors. J. Med. Chem. V. 61 6034 2018.
ISSN: ISSN 1520-4804
PubMed: 29939742
DOI: 10.1021/ACS.JMEDCHEM.8B00373
Page generated: Sun Dec 13 12:50:18 2020
ISSN: ISSN 1520-4804
PubMed: 29939742
DOI: 10.1021/ACS.JMEDCHEM.8B00373
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