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| Reference: |
Yano JK, Denton TT, Cerny MA, Zhang X, Johnson EF, Cashman JRSynthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallizationJ. Med. Chem. v49, p.6987-7001A series of 3-heteroaromatic analogues of nicotine were synthesized to delineate structural and mechanistic requirements for selectively inhibiting human cytochrome P450 (CYP) 2A6. Thiophene, substituted thiophene, furan, substituted furan, acetylene, imidazole, substituted imidazole, thiazole, pyrazole, substituted pyrazole, and aliphatic and isoxazol moieties were used to replace the N-methylpyrrolidine ring of nicotine....
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| Description: |
Microsomal P450 2a6 With The Inhibitor N-Methyl(5-(Pyridin- 3-Yl)furan-2-Yl)methanamine Bound. |
| Deposition: |
2005/12/14   |
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| Author: |
Yano JK, Stout CD, Johnson EF |
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| Taxonomy: |
Homo sapiens |
| Related Structure: |
VAST |
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Molecular components in the MMDB structure are listed below and may include macromolecular chains, 3D domains, protein classifications (domain families), and ligands, as available. Mouse over each icon for more information on the component.  | Ligand |
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sulfuric acid |
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5 occurrences |
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CID444522 |
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4 occurrences |
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nicotine 3-hete.. |
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4 occurrences |
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Ethylene Glycol |
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7 occurrences |
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Citing MMDB:
Wang Y, Addess KJ, Chen J, Geer LY, He J, He S, Lu S, Madej T, Marchler-Bauer A, Thiessen PA, Zhang N, Bryant SH.
"MMDB: annotating protein sequences with Entrez's 3D-structure database.",
Nucleic Acids Res. 2007 Jan; 35(Database issue): D298-300.
Chen J, Anderson JB, DeWeese-Scott C, Fedorova ND, Geer LY, He S, Hurwitz DI, Jackson JD, Jacobs AR, Lanczycki CJ, Liebert CA, Liu C, Madej T, Marchler-Bauer A, Marchler GH, Mazumder R, Nikolskaya AN, Rao BS, Panchenko AR, Shoemaker BA, Simonyan V, Song JS, Thiessen PA, Vasudevan S, Wang Y, Yamashita RA, Yin JJ, Bryant SH.
"MMDB: Entrez's 3D-structure database", Nucleic Acids Res. 2003 Jan; 31(1): 474-7.
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