7UAS
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | WD repeat-containing protein 5 | polymer | 313 | 34391.0 | 2 | UniProt (P61964) Pfam (PF00400) In PDB | Homo sapiens (human) | BMP2-induced 3-kb gene protein |
| 2 | A, B | (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 | non-polymer | 548.6 | 2 | Chemie (MBU) | |||
| 3 | water | water | 18.0 | 654 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68782.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1097.2 | |
| All* | Total formula weight | 69879.2 |
