Reaction Details |
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Target | Aromatase |
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Ligand | BDBM13061 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_560810 (CHEMBL1011778) |
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Ki | 2.2±n/a nM |
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Citation | Neves, MA; Dinis, TC; Colombo, G; Sá e Melo, ML Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem52:143-50 (2009) [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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BDBM13061 |
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n/a |
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Name | BDBM13061 |
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 |
Type | Small organic molecule |
Emp. Form. | C17H11N5 |
Mol. Mass. | 285.3027 |
SMILES | N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 |
Structure |
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