Reaction Details
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Target
Estrogen receptor [298-554]
Ligand
BDBM521422
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
2.00±n/a nM
Citation
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More Info.:
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:
BDBM521422
Synonyms:
6-(4-ethoxy- 2,3-difluoro- phenyl)-5-[2- [(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxypyrimidin- 5-yl]-8,9- dihydro-7H- benzo[7]annulen- 2-ol | US11149031, Example 246
Type:
Small organic molecule
Emp. Form.:
C30H32F3N3O3
Mol. Mass.:
539.5886
SMILES:
CCOc1ccc(c(F)c1F)C1=C(c2cnc(O[C@H]3CCN(CCCF)C3)nc2)c2ccc(O)cc2CCC1 |r,c:12|