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Target
Estrogen receptor beta
Ligand
BDBM50148732
Substrate
n/a
Meas. Tech.
ChEMBL_66552 (CHEMBL677819)
Kd
0.630000±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:
BDBM50148732
Synonyms:
17-ethynyl-17beta-hydroxyestr-4-en-3-one | 17alpha-ethinyl-19-nortestosterone | 17alpha-ethinylestra-4-en-17beta-ol-3-one | 17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one | 17beta-hydroxy-19-norpregn-4-en-20-yn-3-one | 19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one | 19-Norethisterone | 19-nor-17alpha-ethynyltestosterone | 4-estren-17alpha-ethynyl-17beta-ol-3-one | CHEMBL1162 | Micronor | NORETHINDRONE | Norethisteron | Primolut-N | norethisterone
Type:
Small organic molecule
Emp. Form.:
C20H26O2
Mol. Mass.:
298.4192
SMILES:
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8|
Structure:
Search PDB for entries with ligand similarity: