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Target
Estrogen receptor beta
Ligand
BDBM50225313
Substrate
n/a
Meas. Tech.
ChEMBL_66552 (CHEMBL677819)
Kd
5100±n/a nM
Citation
 Pillai, KM; Murray, WV; Shooshani, I; Williams, DL; Gordon, D; Wang, SY; Johnson, F Steroids. 2. Synthesis of C-18 functionalized steroids via the Smith-Hughes route. J Med Chem 27:1131-7 (1984) [PubMed]  Article 
Target
Name:
Estrogen receptor beta
Synonyms:
Estrogen receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 66549
Components:
This complex has 2 components.
Component 1
Name:
Estrogen receptor
Synonyms:
ESR1_RAT | Esr | Esr1 | Estr | Nr3a1 | estrogen alpha
Type:
Enzyme Catalytic Domain
Mol. Mass.:
67045.89
Organism:
RAT
Description:
estrogen alpha 0 RAT::P06211
Residue:
600
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKMPMERALGEVYVDNSKPAVFNYPEGAAYEFNAAAAAAAAGASAPVYGQSSITYGPGSEAAAFGANSLGAFPQLNSVSPSPLMLLHPPPHVSPFLHPHGHQVPYYLENEPSAYAVRDTGPPAFYRSNSDNRRQNGRERLSSSSEKGNMIMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDLEGRNEMGTSGDMRAANLWPSPLVIKHTKKNSPALSLTADQMVSALLDAEPPLIYSEYDPSRPFSEASMMGLLTNLADRELVHMINWAKRVPGFGDLNLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKINDTLIHLMAKAGLTLQQQHRRLAQLLLILSHIRHMSNKGMEHLYNMKCKNVVPLYDLLLEMLDAHRLHAPASRMGVPPEEPSQSQLTTTSSTSAHSLQTYYIPPEAEGFPNTI
  
Component 2
Name:
Estrogen receptor beta
Synonyms:
ESR2_RAT | Erbeta | Esr2 | Estrogen receptor | Estrogen receptor beta | Nr3a2
Type:
PROTEIN
Mol. Mass.:
59173.80
Organism:
Rattus norvegicus
Description:
ChEMBL_803011
Residue:
530
Sequence:
MEIKNSPSSLSSPASYNCSQSILPLEHGPIYIPSSYVDNRHEYSAMTFYSPAVMNYSVPGSTSNLDGGPVRLSTSPNVLWPTSGHLSPLATHCQSSLLYAEPQKSPWCEARSLEHTLPVNRETLKRKLSGSSCASPVTSPNAKRDAHFCPVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRIVRRQRSSSEQVHCLSKAKRNGGHAPRVKELLLSTLSPEQLVLTLLEAEPPNVLVSRPSMPFTEASMMMSLTKLADKELVHMIGWAKKIPGFVELSLLDQVRLLESCWMEVLMVGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLASANQEAESSRKLTHLLNAVTDALVWVIAKSGISSQQQSVRLANLLMLLSHVRHISNKGMEHLLSMKCKNVVPVYDLLLEMLNAHTLRGYKSSISGSECSSTEDSKNKESSQNLQSQ
  
Inhibitor
Name:
BDBM50225313
Synonyms:
CHEMBL273571
Type:
Small organic molecule
Emp. Form.:
C22H30O4
Mol. Mass.:
358.4712
SMILES:
[H][C@@]12CCC[C@]1(CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])C(OC(C)=O)C(C)=O |c:17|
Structure:
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