Reaction Details |
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Target | Cytochrome P450 3A1 |
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Ligand | BDBM31652 |
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Substrate/Competitor | erythromycin |
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IC50 | 2000±n/a nM |
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Citation | Vlahakis, JZ; Hum, M; Rahman, MN; Jia, Z; Nakatsu, K; Szarek, WA Synthesis and evaluation of imidazole-dioxolane compounds as selective heme oxygenase inhibitors: effect of substituents at the 4-position of the dioxolane ring. Bioorg Med Chem17:2461-75 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Cytochrome P450 3A1 |
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Name: | Cytochrome P450 3A1 |
Synonyms: | CP3A1_RAT | CYPIIIA1 | Cyp3a-1 | Cyp3a1 | P450-PCN1 |
Type: | Enzyme |
Mol. Mass.: | 57928.74 |
Organism: | Rattus norvegicus (rat) |
Description: | CYP3A1/3A2 prepared from rat liver microsomes was used in enzyme assays. |
Residue: | 504 |
Sequence: | MDLLSALTLETWVLLAVVLVLLYGFGTRTHGLFKKQGIPGPKPLPFFGTVLNYYMGLWKF
DVECHKKYGKIWGLFDGQMPLFAITDTEMIKNVLVKECFSVFTNRRDFGPVGIMGKAVSV
AKDEEWKRYRALLSPTFTSGRLKEMFPIIEQYGDILVKYLKQEAETGKPVTMKKVFGAYS
MDVITSTSFGVNVDSLNNPKDPFVEKTKKLLRFDFFDPLFLSVVLFPFLTPIYEMLNICM
FPKDSIEFFKKFVYRMKETRLDSVQKHRVDFLQLMMNAHNDSKDKESHTALSDMEITAQS
IIFIFAGYEPTSSTLSFVLHSLATHPDTQKKLQEEIDRALPNKAPPTYDTVMEMEYLDMV
LNETLRLYPIGNRLERVCKKDVEINGVFMPKGSVVMIPSYALHRDPQHWPEPEEFRPERF
SKENKGSIDPYVYLPFGNGPRNCIGMRFALMNMKLALTKVLQNFSFQPCKETQIPLKLSR
QGLLQPTKPIILKVVPRDEIITGS
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BDBM31652 |
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erythromycin |
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Name | BDBM31652 |
Synonyms: | imidazole-dioxolane, 3 |
Type | Small organic molecule |
Emp. Form. | C22H23ClN2O2S |
Mol. Mass. | 414.948 |
SMILES | Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3)O2)cc1 |r| |
Structure |
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