Reaction Details |
| Report a problem with these data |
Target | Estrogen receptor beta |
---|
Ligand | BDBM19458 |
---|
Substrate/Competitor | 17beta-estradiol (E2) |
---|
Meas. Tech. | Estrogen Receptor Binding Assay. |
---|
pH | 7.5±n/a |
---|
Temperature | 273.15±n/a K |
---|
Ki | 156±n/a nM |
---|
Comments | RBA=0.32 +/- 0.04 % |
---|
Citation | Zhou, HB; Sheng, S; Compton, DR; Kim, Y; Joachimiak, A; Sharma, S; Carlson, KE; Katzenellenbogen, BS; Nettles, KW; Greene, GL; Katzenellenbogen, JA Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains. J Med Chem50:399-403 (2007) [PubMed] Article |
---|
More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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
|
|
|
BDBM19458 |
---|
17beta-estradiol (E2) |
---|
Name | BDBM19458 |
Synonyms: | 4-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol | Pyrazolo[1,5-a]pyrimidine, 12d |
Type | Small organic molecule |
Emp. Form. | C24H20F6N4O2 |
Mol. Mass. | 510.4316 |
SMILES | CN(C)CCOc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F |
Structure |
|