| Reaction Details |
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 | Report a problem with these data |
| Target | Aromatase |
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| Ligand | BDBM50339147 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_735765 (CHEMBL1693773) |
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| IC50 | 30700±n/a nM |
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| Citation |  Yang, JH; Kondratyuk, TP; Jermihov, KC; Marler, LE; Qiu, X; Choi, Y; Cao, H; Yu, R; Sturdy, M; Huang, R; Liu, Y; Wang, LQ; Mesecar, AD; van Breemen, RB; Pezzuto, JM; Fong, HH; Chen, YG; Zhang, HJ Bioactive compounds from the fern Lepisorus contortus. J Nat Prod74:129-36 (2011) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57888.92 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11511 |
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| Residue: | 503 |
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| Sequence: | MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLI
SHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKL
GLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTN
ESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWL
YKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCI
LEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFI
YESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAK
NVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLH
PDETKNMLEMIFTPRNSDRCLEH
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| BDBM50339147 |
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| n/a |
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| Name | BDBM50339147 |
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| Synonyms: | CHEMBL1689257 | beta-(4-hydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside |
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| Type | Small organic molecule |
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| Emp. Form. | C28H34O14 |
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| Mol. Mass. | 594.5612 |
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| SMILES | OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r| |
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| Structure | 
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