Reaction Details Report a problem with these data
Target
Estrogen receptor [298-554,D538G]
Ligand
BDBM521345
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
5.00±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:
BDBM521345
Synonyms:
4-(2-fluoro-4- hydroxy- phenyl)-5-[4- [(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2,3-dihydro-1- benzothiepin-8- ol | US11149031, Example 169
Type:
Small organic molecule
Emp. Form.:
C29H29F2NO3S
Mol. Mass.:
509.607
SMILES:
Oc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:9|
Structure:
Search PDB for entries with ligand similarity: