Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstrogen receptor [298-554]
LigandBDBM521203
Substrate/Competitorn/a
Meas. Tech.Biochemical Antagonist Activity on Wild Type (WT) and Mutants
IC50 2.00±n/a nM
Citation Bouaboula, MBrollo, MCertal, VEl-Ahmad, YFiloche-Romme, BHalley, FMcCort, GSchio, LTabart, MTerrier, CThompson, F Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof US Patent US11149031 Publication Date 10/19/2021
More Info.:Get all data from this article,  Assay Method
 
Estrogen receptor [298-554]
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:
KRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMI
NWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCV
EGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRV
LDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYD
LLLEMLDAHRLHAPTS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM521203
n/a
NameBDBM521203
Synonyms:3-(6-ethoxy-2- fluoro-3- pyridyl)-4-[4- [(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2H- thiochromen-7- ol | US11149031, Example 27
TypeSmall organic molecule
Emp. Form.C29H30F2N2O3S
Mol. Mass.524.622
SMILESCCOc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3SC2)c(F)n1 |r,c:7|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: