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TargetAromatase
LigandBDBM10069
Substrate/CompetitorBDBM8592
Meas. Tech.Aromatase Assay
IC50 50±n/a nM
Citation Lesuisse, DGourvest, JFBenslimane, OCanu, FDelaisi, CDoucet, BHartmann, CLefrancois, JMTric, BMansuy, DPhilibert, DTeutsch, G Structure-activity relationships of a new family of steroidal aromatase inhibitors. 1. Synthesis and evaluation of a series of analogs related to 19-[(methylthio)methyl]androstenedione (RU54115). J Med Chem39:757-72 (1996) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  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:
BDBM10069
BDBM8592
NameBDBM10069
Synonyms:(2R,15S)-2-{2-[(fluoromethyl)sulfanyl]ethyl}-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6-diene-5,14-dione | 3,17-Dioxo-19-[[(fluoromethyl)thio]methyl]androsta-4,9(11)-diene | RU54115 Analog 32
TypeSmall organic molecule
Emp. Form.C21H27FO2S
Mol. Mass.362.501
SMILESC[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCF)C1CCC2=O |r,c:3,t:8|
Structure
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