6W35: A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry

PDB ID: 6W35Download
MMDB ID: 189858
PDB Deposition Date: 2020/3/9
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 1.98  Å
Source Organism:
Similar Structures:
Biological Unit for 6W35: monomeric; determined by author and by software (PISA)
Molecular Components in 6W35
Label Count Molecule
Protein (1 molecule)
1
Ectonucleotide Pyrophosphatase/phosphodiesterase 2
(Gene symbol: ENPP2)
Molecule annotation
Chemicals and Non-standard biopolymers (35 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
1
2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
5
2
ZINC IONZINC ION
6
2
CALCIUM IONCALCIUM ION
7
2
MAGNESIUM IONMAGNESIUM ION
8
3
THIOCYANATE IONTHIOCYANATE ION
9
12
CHLORIDE IONCHLORIDE ION
10
5
IODIDE IONIODIDE ION
* 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