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Fluorine in PDB 6ic2: Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII
Enzymatic activity of Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII
All present enzymatic activity of Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII, PDB code: 6ic2
was solved by
A.Angeli,
M.Ferraroni,
C.T.Supuran,
F.Carta,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 41.06 / 1.15 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 42.418, 41.385, 72.320, 90.00, 104.54, 90.00 |
| R / Rfree (%) | 24.3 / 26.8 |
Other elements in 6ic2:
The structure of Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII also contains other interesting chemical elements:
| Bromine | (Br) | 1 atom |
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII
(pdb code 6ic2). 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 Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII, PDB code: 6ic2:
In total only one binding site of Fluorine was determined in the Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII, PDB code: 6ic2:
Fluorine binding site 1 out of 1 in 6ic2
Go back to
Fluorine Binding Sites List in 6ic2
Fluorine binding site 1 out
of 1 in the Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII
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 Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII within 5.0Å range:
|
Reference:
A.Angeli,
M.Ferraroni,
A.Nocentini,
S.Selleri,
P.Gratteri,
C.T.Supuran,
F.Carta.
Polypharmacology of Epacadostat: A Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII. Chem.Commun.(Camb.) V. 55 5720 2019.
ISSN: ESSN 1364-548X
PubMed: 31038135
DOI: 10.1039/C8CC09568J
Page generated: Thu Aug 1 21:25:24 2024
ISSN: ESSN 1364-548X
PubMed: 31038135
DOI: 10.1039/C8CC09568J
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