Reaction Details Report a problem with these data
Target
Estrogen receptor [307-554]
Ligand
BDBM361458
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
1.000±n/a nM
Citation
 Nissink, JW; Scott, JS; Moss, TA; Hughes, SJ; Barlaam, BC; Yang, B Selective estrogen receptor down-regulators US Patent  US10590132 Publication Date 3/17/2020 
Target
Name:
Estrogen receptor [307-554]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen receptor(ER) (aa 307-554) | NR3A1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
28281.50
Organism:
Homo sapiens (Human)
Description:
aa 307-554
Residue:
248
Sequence:
ALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTS
  
Inhibitor
Name:
BDBM361458
Synonyms:
2,2-difIuoro-3- ((1R,3R)-1-(5- ((S)-2-((3- fluoropropyl) amino)propoxy)- 2- methoxyphenyl)- 3-methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2- yl)propan-1-ol | US10221173, Example 50 | US10590132, Example 50 | US11046689, Example 50
Type:
Small organic molecule
Emp. Form.:
C28H36F3N3O3
Mol. Mass.:
519.5989
SMILES:
COc1ccc(OC[C@@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
Structure:
Search PDB for entries with ligand similarity: