Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAromatase
LigandBDBM50442775
Substrate/Competitorn/a
Meas. Tech.ChEMBL_989965 (CHEMBL2447322)
Ki 111±n/a nM
Citation McNulty, JNielsen, AJBrown, CEDiFrancesco, BRVurgun, NNair, JJCrankshaw, DJHolloway, AC Investigation of aryl halides as ketone bioisosteres: refinement of potent and selective inhibitors of human cytochrome P450 19A1 (aromatase). Bioorg Med Chem Lett23:6060-3 (2013) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50442775
n/a
NameBDBM50442775
Synonyms:CHEMBL2443349
TypeSmall organic molecule
Emp. Form.C19H20BrN3O2
Mol. Mass.402.285
SMILESCOCO[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: