Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAromatase
LigandBDBM10020
Substrate/Competitorn/a
Meas. Tech.ChEMBL_718780 (CHEMBL1681078)
IC50 0.82±n/a nM
Citation Woo, LWBubert, CPurohit, A Hybrid Dual Aromatase-Steroid Sulfatase Inhibitors with Exquisite Picomolar Inhibitory Activity ACS Med Chem Lett2:243-247 (2011) [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:
BDBM10020
n/a
NameBDBM10020
Synonyms:(2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate | JMC503540 Compound 5 | YM511 Analog 5 | YM511-based dual aromatase-sulfatase inhibitor (DASI) 7 | dual aromatase-sulfatase inhibitor 7
TypeSmall organic molecule
Emp. Form.C16H13BrN6O3S
Mol. Mass.449.282
SMILESNS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: