We are getting more and more requests from the community to screen compounds that are either:
- not currently made by enamine
- not in our selection
- from parallel mpro design efforts
This is great and we encourage you to do so. In order to keep the overall workflow simple we have decided that all compounds should be sent to Enamine. They will handle plate formatting and shipment to our screening centres. Currently Nir London (Weizmann Institute) runs a HT fluorescent based assay, Enamine runs a solubility assay, structural information can be obtained from Diamond Light Source (XChem), and in the university of Oxford both NMR and MS rapid-fire assays are being set up.
To recover some of the cost, we are asking for 20€ per compound, payable to Enamine using the following format:(to be added)
Before posting/ordering your compounds, please answer ALL of the following questions and post it on this thread:
Compounds that you will contribute - Please upload a csv file, following this format: https://github.com/postera-ai/COVID_moonshot_submissions/blob/master/orders_data/20200417_enamine_order/20200417_moonshot_to_enamine.csv. Note that we need BOTH the PostEra_ID (the compound ID displayed on https://covid.postera.ai/covid/submissions/compounds) and SMILES.
How are you contributing the compounds (select an option and answer the followup):
a) In stock/in virtual library of a vendor: Please specify the name and website of the vendor
b) In-house compounds provided by the submitter: Please provide either 1H NMR, LC or GC-MS, HRMS data (run after 2019) for each submitted compound (e.g. Google drive, Dropbox, or email email@example.com). We will not consider compounds without analytical data. Analytical data need to be submitted before sending the compounds for review by Enamine. If the purity from the data provided seems below 90%, we will ask you to purify/remake the compound.
c) Custom synthesis by a CRO: Please specify the name of the CRO. We will likewise require analytical data before performing the assay.
Please send the samples in their dry form; Enamine will dilute/solubilise the compounds into plate before sending them for screening.
Guidelines for sending the compounds to Kyiv: Chemicals-to-Enamine_2020.pdf (58.3 KB)
Custom invoice template: Invoice_template_for_shipment_registration.pdf (275.3 KB)
In all cases, if you want the moonshot project to test compounds, you must submit them on the website first! This is our only way of making sure compounds can be tracked efficiently and we will not accept unregistered compounds.
Importantly, all results and compound identities will be released to the public for the furthering of this open science initiative. If you are not comfortable with this, please do not use us for your assays.
If you intend to send less than 100 compounds, and can declare the minimum value of the shipment (less than USD40), please use the following delivery address:
Attn.: Mr. Sergey Yavnyuk
23 Alexandra Matrosova Street
Tel.: +38 044 227 96 43
Mobile: +38 (067) 466 71 68
If you intend to send more than 100 compounds, and cannot declare the minimum value of the shipment (require to declare full value), please use the following delivery address:
Attn.: Mr. Vladimir Shinkevich
Vestienas iela 2B
LV-1035 Riga, Latvia
Tel. +371 6 600 0186
Mobile: +371 299 95 028
VAT Reg No.: LV40103730175