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. 2021 Jul 6;153(9):e202012832. doi: 10.1085/jgp.202012832

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© 2021 Zhao et al.

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Figure S4. — Predicted metabolism and toxicity of HIF compounds versus 2GBI. (A) Sites of cytochrome P450–mediated metabolism for 2GBI, HIF, HIF_NH, and HIF_EN predicted by XenoSite (https://swami.wustl.edu/xenosite). Scale goes from 0% (blue) to 100% (red) probability of metabolism. (B) Top: Ability to permeate the blood–brain barrier (green checks) for the indicated compounds predicted using BOILED-Egg (http://www.swissadme.ch). Bottom: Prediction of integrated toxicity of the indicated compounds from MetaTox (www.way2drug.com/mg2). Values take into account effects of all first- and second-level metabolites and effect of parent compound on integrated toxicity.