Transporter Models Version 2 released
Transmembrane Transport Proteins (TMTs) control nutrient uptake, ion transport, and drug transport across biological membranes. Predicting substrate and inhibition profiles of small molecules towards these transporters helps medicinal chemists to prioritize compounds in an early phase of the drug development process and guide toxicologists in the safety assessment of candidate compounds. Based on our long-lasting experience in the field of transporter informatics we offer a set of high quality computational models for predicting inhibitor profiles of small molecules towards a set of TMTs.
The Phenaris Transporter Models can predict ligand-transporter interaction in 3 easy steps: log-in, upload SDF files, run prediction. Our model portfolio is constantly updated and expanded. Version 1 already included prediction of inhibitors of P-glycoprotein, BCRP, BSEP, MRP3, OATP1B1, and OATP1B3.
Whats New in Version 2? – Register for our Webinar!
The Phenaris team is delighted to announce the release of version 2 of our transporter models. With the addition of three new transporter (OCT1, OCT2, MATE1), we are now offering models for 9 transporter which are involved in drug/drug interactions and hepatotoxicity. Furthermore, we modified the input layout to allow easier bulk selection of models.
A webinar on our Transporter Models was held on November 24th, 2020. If you are interested, you can watch the recording.
To give you a closer insight into the functionalities and design of our Transporter Models we also produced a short demo video. See how you can easily draw and analyse your compounds and get results in a standardised and aggregated form with state of the art data visualisation in just a few minutes.
For accessing the models, we offer very flexible licensing conditions, ranging from pay per use up to annual site licenses. More elaborated studies such as docking based classification or substrate predictions are available upon request. For more information please contact us.
