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Target
Estrogen receptor beta
Ligand
BDBM17292
Substrate
n/a
Meas. Tech.
ChEMBL_66547 (CHEMBL677814)
IC50
1.8±n/a nM
Citation
 Ruenitz, PC; Bourne, CS; Sullivan, KJ; Moore, SA Estrogenic triarylethylene acetic acids: effect of structural variation on estrogen receptor affinity and estrogenic potency and efficacy in MCF-7 cells. J Med Chem 39:4853-9 (1996) [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:
BDBM17292
Synonyms:
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 17 beta-Estradiol | 17α-ethinylestradiol | 17beta-estradiol (E2) | CHEMBL135 | CS336 | ESTRADIOL | Estradiol-17 alpha | Ovocyclin | US9034854, E2 | US9040509, E2 | US9422324, E2 | US9561238, E2 | [2,4,6,7-3H]-17beta-estradiol | [2,4,6,7-3H]-E2 | [3H]-estradiol | [3H]]estradiol
Type:
Steroid
Emp. Form.:
C18H24O2
Mol. Mass.:
272.382
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Structure:
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