Reaction Details |
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Target | Aromatase |
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Ligand | BDBM22372 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630232 (CHEMBL1105634) |
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IC50 | 11±n/a nM |
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Citation | Muftuoglu, Y; Mustata, G Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett20:3050-64 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aromatase |
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Name: | Aromatase |
Synonyms: | ARO1 | Aromatase | CP19A_HUMAN | CYAR | CYP19 | CYP19A1 | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM |
Type: | Enzyme |
Mol. Mass.: | 57888.92 |
Organism: | Homo sapiens (Human) |
Description: | P11511 |
Residue: | 503 |
Sequence: | MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
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BDBM22372 |
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n/a |
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Name | BDBM22372 |
Synonyms: | 4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol | 4-[(2S,3R)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol | CHEMBL313972 | Masoprocol | NDGA | Nordihydroguaiaretic Acid |
Type | Antioxidant |
Emp. Form. | C18H22O4 |
Mol. Mass. | 302.3649 |
SMILES | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 |
Structure |
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