Reaction Details Report a problem with these data
Target
Estrogen receptor [298-554,D538G]
Ligand
BDBM521195
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
23.0±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:
BDBM521195
Synonyms:
4-[4-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]-3- (1H-indol-5-yl)- 2H- thiochromen-7- ol | US11149031, Example 19
Type:
Small organic molecule
Emp. Form.:
C30H29FN2O2S
Mol. Mass.:
500.627
SMILES:
Oc1ccc2C(=C(CSc2c1)c1ccc2[nH]ccc2c1)c1ccc(O[C@H]2CCN(CCCF)C2)cc1 |r,c:5|
Structure:
Search PDB for entries with ligand similarity: