Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstrogen receptor beta
LigandBDBM50121626
Substrate/Competitorn/a
Meas. Tech.ChEMBL_67203 (CHEMBL838887)
Ki 15±n/a nM
Citation Henke, BRConsler, TGGo, NHale, RLHohman, DRJones, SALu, ATMoore, LBMoore, JTOrband-Miller, LARobinett, RGShearin, JSpearing, PKStewart, ELTurnbull, PSWeaver, SLWilliams, SPWisely, GBLambert, MH A new series of estrogen receptor modulators that display selectivity for estrogen receptor beta. J Med Chem45:5492-505 (2002) [PubMed]
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:
BDBM50121626
n/a
NameBDBM50121626
Synonyms:4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino}-ethyl)-phenol | 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL | CHEMBL346455
TypeSmall organic molecule
Emp. Form.C24H29ClN6OS
Mol. Mass.485.045
SMILESOc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: