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Calcium 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 |
| Iodine | (I) | 1 atom |
| Chlorine | (Cl) | 3 atoms |
Calcium Binding Sites:
The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium 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 Calcium was determined in the Novel Imidazo[1,2-A]Pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity, PDB code: 5mhp:
Calcium binding site 1 out of 1 in 5mhp
Go back to
Calcium Binding Sites List in 5mhp
Calcium 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 Calcium with other atoms in the Ca 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: Sat Dec 12 05:37:48 2020
ISSN: ISSN 1520-4804
PubMed: 28414242
DOI: 10.1021/ACS.JMEDCHEM.7B00032
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