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Iodine in PDB 5mhp: Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Enzymatic activity of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
All present enzymatic activity of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity:
3.1.4.39;
3.1.4.39;
Protein crystallography data
The structure of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5mhp
was solved by
D.Fleury,
I.Mueller,
M.Lamers,
N.Triballeau,
P.Mollat,
L.Vercheval,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 75.87 / 2.43 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 77.230, 79.530, 79.740, 90.00, 100.78, 90.00 |
| R / Rfree (%) | 20.7 / 24.5 |
Other elements in 5mhp:
The structure of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
| Magnesium | (Mg) | 1 atom |
| Zinc | (Zn) | 2 atoms |
| Calcium | (Ca) | 1 atom |
| Chlorine | (Cl) | 3 atoms |
Iodine Binding Sites:
The binding sites of Iodine atom in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
(pdb code 5mhp). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5mhp:
In total only one binding site of Iodine was determined in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5mhp:
Iodine binding site 1 out of 1 in 5mhp
Go back to
Iodine Binding Sites List in 5mhp
Iodine binding site 1 out
of 1 in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 1 of Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity within 5.0Å range:
|
Reference:
N.Desroy,
C.Housseman,
X.Bock,
A.Joncour,
N.Bienvenu,
L.Cherel,
V.Labeguere,
E.Rondet,
C.Peixoto,
J.M.Grassot,
O.Picolet,
D.Annoot,
N.Triballeau,
A.Monjardet,
E.Wakselman,
V.Roncoroni,
S.Le Tallec,
R.Blanque,
C.Cottereaux,
N.Vandervoort,
T.Christophe,
P.Mollat,
M.Lamers,
M.Auberval,
B.Hrvacic,
J.Ralic,
L.Oste,
E.Van Der Aar,
R.Brys,
B.Heckmann.
Discovery of 2-[[2-Ethyl-6-[4-[2-(3-Hydroxyazetidin-1-Yl) -2-Oxoethyl]Piperazin-1-Yl]-8-Methylimidazo[1, 2-A]Pyridin-3-Yl]Methylamino]-4-(4-Fluorophenyl) Thiazole-5-Carbonitrile (GLPG1690), A First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation For the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem. V. 60 3580 2017.
ISSN: ISSN 1520-4804
PubMed: 28414242
DOI: 10.1021/ACS.JMEDCHEM.7B00032
Page generated: Sun Dec 13 19:40:19 2020
ISSN: ISSN 1520-4804
PubMed: 28414242
DOI: 10.1021/ACS.JMEDCHEM.7B00032
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