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Target
Aromatase
Ligand
BDBM50435003
Substrate
n/a
Meas. Tech.
ChEMBL_1889995 (CHEMBL4391749)
IC50
6100±n/a nM
Citation
 Spinello, A; Martini, S; Berti, F; Pennati, M; Pavlin, M; Sgrignani, J; Grazioso, G; Colombo, G; Zaffaroni, N; Magistrato, A Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer. Eur J Med Chem 168:253-262 (2019) [PubMed]  Article
Target
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:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM50435003
Synonyms:
ENDOXIFEN
Type:
Small organic molecule
Emp. Form.:
C25H27NO2
Mol. Mass.:
373.4874
SMILES:
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
Structure:
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