6DAR
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | WD repeat-containing protein 5 | polymer | 313 | 34391.0 | 1 | UniProt (P61964) Pfam (PF00400) | Homo sapiens (Human) | BMP2-induced 3-kb gene protein |
| 2 | B (A) | N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide | non-polymer | 401.5 | 1 | Chemie (G2J) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E, F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | G (A) | water | water | 18.0 | 453 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34391.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 749.9 | |
| All* | Total formula weight | 35140.9 |
