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Target
Estrogen receptor [298-554]
Ligand
BDBM521255
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
0.500±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:
BDBM521255
Synonyms:
3-(6-ethoxy-2- fluoro-3- pyridyl)-4-[6- [(3S)-1-(3- fluoropropyl)pyr- rolidin-3-yl]oxy- 3-pyridyl]-2H- thiochromen-7- ol | US11149031, Example 79
Type:
Small organic molecule
Emp. Form.:
C28H29F2N3O3S
Mol. Mass.:
525.61
SMILES:
CCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)nc3)c3ccc(O)cc3SC2)c(F)n1 |r,c:7|
Structure:
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