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Target
Ecdysone receptor
Ligand
BDBM50414645
Substrate
n/a
Meas. Tech.
ChEMBL_582869 (CHEMBL1051107)
IC50
61.66±n/a nM
Citation
 Harada, T; Nakagawa, Y; Akamatsu, M; Miyagawa, H Evaluation of hydrogen bonds of ecdysteroids in the ligand-receptor interactions using a protein modeling system. Bioorg Med Chem 17:5868-73 (2009) [PubMed]  Article 
Target
Name:
Ecdysone receptor
Synonyms:
20-hydroxy-ecdysone receptor | 20E receptor | ECR_DROME | EcR | EcRH | Ecdysteroid receptor | NR1H1 | Nuclear receptor subfamily 1 group H member 1
Type:
PROTEIN
Mol. Mass.:
93857.12
Organism:
Drosophila melanogaster
Description:
ChEMBL_582869
Residue:
878
Sequence:
MKRRWSNNGGFMRLPEESSSEVTSSSNGLVLPSGVNMSPSSLDSHDYCDQDLWLCGNESGSFGGSNGHGLSQQQQSVITLAMHGCSSTLPAQTTIIPINGNANGNGGSTNGQYVPGATNLGALANGMLNGGFNGMQQQIQNGHGLINSTTPSTPTTPLHLQQNLGGAGGGGIGGMGILHHANGTPNGLIGVVGGGGGVGLGVGGGGVGGLGMQHTPRSDSVNSISSGRDDLSPSSSLNGYSANESCDAKKSKKGPAPRVQEELCLVCGDRASGYHYNALTCEGCKGFFRRSVTKSAVYCCKFGRACEMDMYMRRKCQECRLKKCLAVGMRPECVVPENQCAMKRREKKAQKEKDKMTTSPSSQHGGNGSLASGGGQDFVKKEILDLMTCEPPQHATIPLLPDEILAKCQARNIPSLTYNQLAVIYKLIWYQDGYEQPSEEDLRRIMSQPDENESQTDVSFRHITEITILTVQLIVEFAKGLPAFTKIPQEDQITLLKACSSEVMMLRMARRYDHSSDSIFFANNRSYTRDSYKMAGMADNIEDLLHFCRQMFSMKVDNVEYALLTAIVIFSDRPGLEKAQLVEAIQSYYIDTLRIYILNRHCGDSMSLVFYAKLLSILTELRTLGNQNAEMCFSLKLKNRKLPKFLEEIWDVHAIPPSVQSHLQITQEENERLERAERMRASVGGAITAGIDCDSASTSAAAAAAQHQPQPQPQPQPSSLTQNDSQHQTQPQLQPQLPPQLQGQLQPQLQPQLQTQLQPQIQPQPQLLPVSAPVPASVTAPGSLSAVSTSSEYMGGSAAIGPITPATTSSITAAVTASSTTSAVPMGNGVGVGVGVGGNVSMYANAQTAMALMGVALHSHQEQLIGGVAVKSEHSTTA
  
Inhibitor
Name:
BDBM50414645
Synonyms:
CYASTERONE
Type:
Small organic molecule
Emp. Form.:
C29H44O8
Mol. Mass.:
520.6549
SMILES:
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:20|
Structure:
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