5MHP: Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity

PDB ID: 5MHPDownload
MMDB ID: 154067
PDB Deposition Date: 2016/11/25
Updated in MMDB: 2017/09
Experimental Method:
x-ray diffraction
Resolution: 2.43  Å
Source Organism:
Similar Structures:
Biological Unit for 5MHP: monomeric; determined by author and by software (PISA)
Molecular Components in 5MHP
Label Count Molecule
Protein (1 molecule)
1
Ectonucleotide Pyrophosphatase/phosphodiesterase Family Member 2
(Gene symbol: ENPP2)
Molecule annotation
Chemicals and Non-standard biopolymers (20 molecules)
1
3
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
beta-D-mannopyranosebeta-D-mannopyranose
3
4
alpha-D-mannopyranosealpha-D-mannopyranose
4
2
ZINC IONZINC ION
5
1
CALCIUM IONCALCIUM ION
6
1
MAGNESIUM IONMAGNESIUM ION
7
1
IODIDE IONIODIDE ION
8
3
CHLORIDE IONCHLORIDE ION
9
1
THIOCYANATE IONTHIOCYANATE ION
10
2
PHOSPHATE IONPHOSPHATE ION
11
1
2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303