Target
Aromatase
Ligand
BDBM50254017
Substrate
n/a
Meas. Tech.
ChEMBL_560810 (CHEMBL1011778)
Ki
1.9±n/a nM
Citation
 Neves, MADinis, TCColombo, GSá e Melo, ML Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem 52:143-50 (2009) [PubMed]  Article 
Target
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:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM50254017
Synonyms:
6-((4-fluorophenyl)(1H-imidazol-1-yl)methyl)benzo[d][1,3]dioxol-5-ol | CHEMBL513615 | NSC-368280
Type:
Small organic molecule
Emp. Form.:
C17H13FN2O3
Mol. Mass.:
312.2951
SMILES:
Oc1cc2OCOc2cc1C(c1ccc(F)cc1)n1ccnc1
Structure:
Search PDB for entries with ligand similarity: