Target
Estrogen receptor [298-554,D538G]
Ligand
BDBM521343
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
26.0±n/a nM
Citation
 Bouaboula, MBrollo, MCertal, VEl-Ahmad, YFiloche-Romme, BHalley, FMcCort, GSchio, LTabart, MTerrier, CThompson, F Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof US Patent  US11149031 Publication Date 10/19/2021 
Target
Name:
Estrogen receptor [298-554,D538G]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen Receptor alpha (aa 298-554, D538G) | NR3A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29170.62
Organism:
Human
Description:
P03372[298-554,D538G]
Residue:
256
Sequence:
KRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYGLLLEMLDAHRLHAPTS
  
Inhibitor
Name:
BDBM521343
Synonyms:
4-(4-chloro-2- fluoro-phenyl)- 5-[4-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2,3-dihydro-1- benzothiepin-8- ol | US11149031, Example 167
Type:
Small organic molecule
Emp. Form.:
C29H28ClF2NO2S
Mol. Mass.:
528.053
SMILES:
Oc1ccc2c(SCCC(c3ccc(Cl)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Structure:
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