Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstrogen receptor beta
LigandBDBM50318666
Substrate/Competitorn/a
Meas. Tech.ChEMBL_658553 (CHEMBL1247886)
IC50>30000±n/a nM
Citation Rottmann, MMcNamara, CYeung, BKLee, MCZou, BRussell, BSeitz, PPlouffe, DMDharia, NVTan, JCohen, SBSpencer, KRGonzález-Páez, GELakshminarayana, SBGoh, ASuwanarusk, RJegla, TSchmitt, EKBeck, HPBrun, RNosten, FRenia, LDartois, VKeller, THFidock, DAWinzeler, EADiagana, TT Spiroindolones, a potent compound class for the treatment of malaria. Science329:1175-80 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Estrogen receptor beta
Name:Estrogen receptor beta
Synonyms:ER-beta | ESR2 | ESR2_HUMAN | ESTRB | Estradiol receptor beta (ERβ) | Estrogen receptor | Estrogen receptor (ER beta) | Estrogen receptor beta | Estrogen receptor beta (ER beta) | Estrogen receptor beta (ER) | NR3A2 | Nuclear receptor subfamily 3 group A member 2 | estrogen beta
Type:Protein
Mol. Mass.:59238.43
Organism:Homo sapiens (Human)
Description:Q92731
Residue:530
Sequence:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50318666
n/a
NameBDBM50318666
Synonyms:(1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro-[beta-carboline-1,3'-indol]-2'(1'H)-one | CHEMBL1082723 | NITD609
TypeSmall organic molecule
Emp. Form.C19H14Cl2FN3O
Mol. Mass.390.238
SMILESC[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: