+Search query
-Structure paper
Title | Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. |
---|---|
Journal, issue, pages | J. Chem. Inf. Model., Vol. 60, Page 1202-1214, Year 2020 |
Publish date | Nov 23, 2018 (structure data deposition date) |
Authors | Xia, J. / Wang, Z. / Huan, Y. / Xue, W. / Wang, X. / Wang, Y. / Liu, Z. / Hsieh, J.H. / Zhang, L. / Wu, S. ...Xia, J. / Wang, Z. / Huan, Y. / Xue, W. / Wang, X. / Wang, Y. / Liu, Z. / Hsieh, J.H. / Zhang, L. / Wu, S. / Shen, Z. / Zhang, H. / Wang, X.S. |
External links | J. Chem. Inf. Model. / PubMed:32050066 |
Methods | X-ray diffraction |
Resolution | 2.5 Å |
Structure data | PDB-6itm: |
Chemicals | ChemComp-AWL: ChemComp-HOH: |
Source |
|
Keywords | TRANSCRIPTION / FXR / agonist / non-alcoholic liver disease / docking screening |