| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Estrogen receptor beta |
|---|
| Ligand | BDBM50474723 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_66867 (CHEMBL675206) |
|---|
| Kd | 4000±n/a nM |
|---|
| Citation |  van Lipzig, MM; ter Laak, AM; Jongejan, A; Vermeulen, NP; Wamelink, M; Geerke, D; Meerman, JH Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method. J Med Chem47:1018-30 (2004) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Estrogen receptor beta |
|---|
| Name: | Estrogen receptor beta |
|---|
| Synonyms: | ER-beta | ESR2 | ESR2_SHEEP | Estrogen receptor beta | NR3A2 | Nuclear receptor subfamily 3 group A member 2 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 59140.21 |
|---|
| Organism: | Ovis aries |
|---|
| Description: | ChEMBL_105572 |
|---|
| Residue: | 527 |
|---|
| Sequence: | MDVKNSPSSLNSPVSYNCGQSILPLEPGPIYLPSSYVESRHEYSAVTFYSPAVMNYSIPN
NSEDGPGRQTTSPNVLWPTPGHLSPLAIHCQSSLLYAEPQKSPWCETRSLEHTFPVNRET
LKRKASGSSCASPVSSPSSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDY
ICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRIVRRQRNSDEQLHCLS
KTKRNGAPMTRVKELLLSALSPEQLVLTLLEAEPPHVLMSRPSAPFTEASMMMSLTKLAD
KELVHMISWAKKIPGFVELSLYDQVRLLESCWLEVLMVGLMWRSIDHPGKLIFAPDLVLD
RDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPSATASQEADSG
RKLTHLLNAVTDALVWVIAKSGMSSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKN
VVPVYDLLLEMLNAHTLRSNKPLVTRSERNLAEDSESKEGSQKPQAQ
|
|
|
|---|
| BDBM50474723 |
|---|
| n/a |
|---|
| Name | BDBM50474723 |
|---|
| Synonyms: | CHEMBL7970 | Chrysen-3-ol |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H12O |
|---|
| Mol. Mass. | 244.2873 |
|---|
| SMILES | Oc1ccc2ccc3c4ccccc4ccc3c2c1 |
|---|
| Structure | 
|
|---|
Search and Browse
