Target
Aromatase
Ligand
BDBM24303
Substrate
BDBM8592
Meas. Tech.
Aromatase Inhibition Assay
pH
7.5±n/a
Temperature
310.15±n/a K
Comments
33% inhibition uM.
Citation
 Wood, PMWoo, LWLabrosse, JRTrusselle, MNAbbate, SLonghi, GCastiglioni, ELebon, FPurohit, AReed, MJPotter, BV Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity. J Med Chem 51:4226-38 (2008) [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:
BDBM24303
Synonyms:
(2-methoxy-4-{[3-methoxy-4-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate | Letrozole derivative, 22
Type:
Small organic molecule
Emp. Form.:
C17H19N5O8S2
Mol. Mass.:
485.491
SMILES:
COc1cc(ccc1OS(N)(=O)=O)C(c1ccc(OS(N)(=O)=O)c(OC)c1)n1cncn1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8592
Synonyms:
(2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione | 4-Androsten-3,17-dione | Androst-4-ene-3,17-dione | Androstenedione | [1beta-3H] androstenedione
Type:
Small organic molecule
Emp. Form.:
C19H26O2
Mol. Mass.:
286.4085
SMILES:
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
Structure:
Search PDB for entries with ligand similarity: