Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAromatase
LigandBDBM50262165
Substrate/Competitorn/a
Meas. Tech.ChEMBL_514373 (CHEMBL967987)
IC50 93.8±n/a nM
Citation Lézé, MPPalusczak, AHartmann, RWLe Borgne, M Synthesis of 6- or 4-functionalized indoles via a reductive cyclization approach and evaluation as aromatase inhibitors. Bioorg Med Chem Lett18:4713-5 (2008) [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:
BDBM50262165
n/a
NameBDBM50262165
Synonyms:4-[(1H-indol-6-yl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile | CHEMBL512994
TypeSmall organic molecule
Emp. Form.C18H13N5
Mol. Mass.299.3293
SMILESN#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1cncn1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: