3FLI
Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Bile acid receptor | polymer | 231 | 26946.9 | 1 | UniProt (Q96RI1) Pfam (PF00104) | Homo sapiens (human) | Farnesoid X-activated receptor, Farnesol receptor HRR-1, Nuclear receptor subfamily 1 group H member 4, Retinoid X receptor-interacting protein 14, RXR-interacting protein 14 |
| 2 | B (A) | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | non-polymer | 438.5 | 1 | Chemie (33Y) | |||
| 3 | C (A) | water | water | 18.0 | 223 | Chemie (HOH) |
Sequence modifications
A: 248 - 476 (UniProt: Q96RI1)
| PDB | External Database | Details |
|---|---|---|
| Gly 246 | - | expression tag |
| Ser 247 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26946.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 438.5 | |
| All* | Total formula weight | 27385.4 |
