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Target
Estrogen receptor [298-554,D538G]
Ligand
BDBM521338
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
24.0±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,D538G]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen Receptor alpha (aa 298-554, D538G) | NR3A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29170.62
Organism:
Homo sapiens (Human)
Description:
P03372[298-554,D538G]
Residue:
256
Sequence:
KRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYGLLLEMLDAHRLHAPTS
  
Inhibitor
Name:
BDBM521338
Synonyms:
4-(4-chloro-3- methyl-phenyl)- 5-[4-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2,3-dihydro-1- benzothiepin-8- ol | US11149031, Example 162
Type:
Small organic molecule
Emp. Form.:
C30H31ClFNO2S
Mol. Mass.:
524.089
SMILES:
Cc1cc(ccc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:9|
Structure:
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