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Target
Aromatase
Ligand
BDBM50284243
Substrate
n/a
Meas. Tech.
ChEMBL_1726952 (CHEMBL4142230)
IC50
11200±n/a nM
Citation
 Pingaew, R; Mandi, P; Prachayasittikul, V; Prachayasittikul, S; Ruchirawat, S; Prachayasittikul, V Synthesis, molecular docking, and QSAR study of sulfonamide-based indoles as aromatase inhibitors. Eur J Med Chem 143:1604-1615 (2018) [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:
BDBM50284243
Synonyms:
CHEMBL4172955
Type:
Small organic molecule
Emp. Form.:
C39H34N6O8S2
Mol. Mass.:
778.853
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Structure:
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