Submission MAT-POS-e10a589d

Topic automatically created for discussing the designs at:
https://covid.postera.ai/covid/submissions/MAT-POS-e10a589d

Hi MAtt
Do you have a structure, or intern to get one for
MAT-POS-e10a589d-1?

Is it active w/o the CH2CH2OH group as it then resembles a proton pump inhibitor, which are know to form S-S bonds?

Hi @JSPEN, yes we hope to get a structure as soon as the beamline gets back up early September. And good point, we had suspected it may be forming disulfide bonds, but I didn’t recognize the similarity to proton pump inhibitors

Do we know what the deal is with the RapidFire assay for this compound?

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Hi @xtaldave, sorry this one got lost in my notifications. Unfortunately, the initial results from Rapidfire was completely flat.

I believe there was some concern over that protein batch, and re-synthesis of the compound was already being performed at Enamine. So we should know more after re-testing in both assays this week.

-Matt