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TargetAromatase
LigandBDBM13061
Substrate/Competitorn/a
Meas. Tech.ChEMBL_560810 (CHEMBL1011778)
Ki 2.2±n/a nM
Citation Neves, MADinis, TCColombo, GSá e Melo, ML Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem52:143-50 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aromatase
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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  Blast E-value cutoff:
BDBM13061
n/a
NameBDBM13061
Synonyms:4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile | CHEMBL1444 | Letrozole
TypeSmall organic molecule
Emp. Form.C17H11N5
Mol. Mass.285.3027
SMILESN#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Structure
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