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Target
Estrogen receptor [298-554]
Ligand
BDBM521413
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
0.600±n/a nM
Citation
 Bouaboula, M; Brollo, M; Certal, V; El-Ahmad, Y; Filoche-Romme, B; Halley, F; McCort, G; Schio, L; Tabart, M; Terrier, C; Thompson, 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]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen Receptor alpha (aa 298-554) | NR3A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29227.65
Organism:
Homo sapiens (Human)
Description:
P03372[298-554]
Residue:
256
Sequence:
KRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTS
  
Inhibitor
Name:
BDBM521413
Synonyms:
6-(2-fluoro-4- methyl-phenyl)- 5-[6-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3-yl]oxy- 3-pyridyl]-8,9- dihydro-7H- benzo[7]annulen- 2-ol | US11149031, Example 237
Type:
Small organic molecule
Emp. Form.:
C30H32F2N2O2
Mol. Mass.:
490.5841
SMILES:
Cc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)cc2CCC1 |r,c:9|
Structure:
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