7UAS: Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization

PDB ID: 7UASDownload
MMDB ID: 215172
PDB Deposition Date: 2022/3/14
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 1.808  Å
Source Organism:
Similar Structures:
Biological Unit for 7UAS: monomeric; determined by author
Molecular Components in 7UAS
Label Count Molecule
Protein (1 molecule)
1
WD Repeat-containing Protein 5
(Gene symbol: WDR5)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
* 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