Reaction Details
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Target
Estrogen receptor [298-554]
Ligand
BDBM521374
Substrate
n/a
Meas. Tech.
Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50
1.000±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:
BDBM521374
Synonyms:
4-(2,2- dimethylindolin- 5-yl)-5-[4-[(3S)- 1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2,3-dihydro-1- benzothiepin-8- ol | US11149031, Example 198
Type:
Small organic molecule
Emp. Form.:
C33H36FNO2S2
Mol. Mass.:
561.773
SMILES:
CC1(C)Cc2cc(ccc2S1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1 |r,c:13|