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TargetAromatase (CYP19)
LigandBDBM9479
Substrate/CompetitorBDBM8885
Meas. Tech.CYP19 Assay
pH7.4±n/a
Temperature303.15±n/a K
Comments60% inhibition @ 25 uM inhibitor.
Citation Leonetti, FFavia, ARao, AAliano, RPaluszcak, AHartmann, RWCarotti, A Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors. J Med Chem47:6792-803 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Aromatase (CYP19)
Name:Cytochrome P450 19A1
Synonyms:Aromatase | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM | Tyrosine Kinase FLT3
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:
BDBM9479
NameBDBM9479
Synonyms:7-(1H-1,2,4-Triazol-1-ylmethyl)-2H-chromen-2-one | Coumarin deriv. 28
TypeSmall organic molecule
Emp. Form.C12H9N3O2
Mol. Mass.227.2188
SMILESO=c1ccc2ccc(Cn3cncn3)cc2o1
Structure
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BDBM8885
NameBDBM8885
Synonyms:(1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one | 17beta-Hydroxyandrost-4-en-3-one | Testosterone | Testosterone, 1 | US9682960, Testosterone
TypeSteroid
Emp. Form.C19H28O2
Mol. Mass.288.4244
SMILES[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Structure
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