5T8E
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Androgen receptor | polymer | 258 | 30150.3 | 1 | UniProt (P10275) Pfam (PF00104) | Homo sapiens (Human) | Dihydrotestosterone receptor,Nuclear receptor subfamily 3 group C member 4 |
| 2 | B, C (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 3 | D (A) | 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile | non-polymer | 250.7 | 1 | Chemie (77U) | |||
| 4 | E (A) | water | water | 18.0 | 38 | Chemie (HOH) |
Sequence modifications
A: 671 - 919 (UniProt: P10275)
| PDB | External Database | Details |
|---|---|---|
| Met 662 | - | initiating methionine |
| His 663 | - | expression tag |
| His 664 | - | expression tag |
| His 665 | - | expression tag |
| His 666 | - | expression tag |
| His 667 | - | expression tag |
| His 668 | - | expression tag |
| Gly 669 | - | expression tag |
| Ser 670 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30150.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 434.9 | |
| All* | Total formula weight | 30585.2 |
