Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstrogen receptor [307-554]
LigandBDBM300967
Substrate/Competitorn/a
Meas. Tech.Binding Assay
IC50 1.40±n/a nM
Citation Barlaam, BCO''Donovan, DHHughes, SJMoss, TANissink, JWScott, JSYang, B Chemical compounds US Patent US10961241 Publication Date 3/30/2021
More Info.:Get all data from this article,  Assay Method
 
Estrogen receptor [307-554]
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:
ALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPG
FVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFD
MLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTL
IHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDA
HRLHAPTS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM300967
n/a
NameBDBM300967
Synonyms:5-Fluoro-6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-N-(1-(3-fluoropropyl)azetidin-3-yl)pyridin-3-amine | US10131663, Example 33 | US10590130, Example 33 | US10961241, Example 33
TypeSmall organic molecule
Emp. Form.C24H26F6N6
Mol. Mass.512.4939
SMILESC[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F |r,$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: