CHEMBL538700
Canonical SMILES:
Standard InChI:
Standard InChI Key:
The ChEMBL HELM monomer library is available to download here.
For more details about HELM Notation, please visit the HELM Homepage.
Journal:
The table below displays ChEMBL targets which are predicted to interact with CHEMBL538700. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL538700 is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | empty | both | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL538700 | ||||
| ZINC000058614647 | ||||
| 15833299 | ||||
| 45272750 | ||||
| 10794471 |
