File S1 - The Curious Case of Benzbromarone: Insight into Super-Inhibition of Cytochrome P450

Figure S1: CYP2C9 (1R9O) – Flurbiprofen. Docked flurbiprofen aligned with the crystal structure of flurbiprofen bound CYP2C9. Figure S2: CYP2C9 (1OG5) – Warfarin. Docked S-warfarin (green) aligned with the crystal structure of flurbiprofen bound CYP2C9. Figure S3: P450cam – Camphor. Aligned camphor bound P450cam crystal structure with the docked camphor. Figure S4: P450BM3- Palmitic acid. Docked palmitic acid represented in alignment with palmitate bound crystal structure of P450BM3. Figure S5: NMR (1H) spectra for MeOBzr. Figure S6: NMR (13C) spectra for MeOBzr. Figure S7: NMR (1H) spectra for MeOBzBr. Figure S8: NMR (13C) spectra for MeOBzBr. Figure S9: NMR (1H) spectra for MeOBzIr. Figure S10: NMR (13C) spectra for MeOBzIr. Table S1: In silico docking analyses of some CYPs (with known crystal structures) for diverse substrates, activators and inhibitors.
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