| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear receptor ROR-alpha |
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| Ligand | BDBM50368993 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1736391 (CHEMBL4151927) |
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| IC50 | 600±n/a nM |
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| Citation |  Narjes, F; Xue, Y; von Berg, S; Malmberg, J; Llinas, A; Olsson, RI; Jirholt, J; Grindebacke, H; Leffler, A; Hossain, N; Lepistö, M; Thunberg, L; Leek, H; Aagaard, A; McPheat, J; Hansson, EL; Bäck, E; Tångefjord, S; Chen, R; Xiong, Y; Hongbin, G; Hansson, TG Potent and Orally Bioavailable Inverse Agonists of ROR?t Resulting from Structure-Based Design. J Med Chem61:7796-7813 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nuclear receptor ROR-alpha |
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| Name: | Nuclear receptor ROR-alpha |
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| Synonyms: | NR1F1 | Nuclear receptor RZR-alpha | Nuclear receptor subfamily 1 group F member 1 | RAR-related orphan receptor A | RORA | RORA_HUMAN | RZRA | Retinoid-related orphan receptor-alpha |
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| Type: | PROTEIN |
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| Mol. Mass.: | 58976.26 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_101591 |
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| Residue: | 523 |
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| Sequence: | MESAPAAPDPAASEPGSSGADAAAGSRETPLNQESARKSEPPAPVRRQSYSSTSRGISVT
KKTHTSQIEIIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQSNATYSCPRQKNCLIDRT
SRNRCQHCRLQKCLAVGMSRDAVKFGRMSKKQRDSLYAEVQKHRMQQQQRDHQQQPGEAE
PLTPTYNISANGLTELHDDLSNYIDGHTPEGSKADSAVSSFYLDIQPSPDQSGLDINGIK
PEPICDYTPASGFFPYCSFTNGETSPTVSMAELEHLAQNISKSHLETCQYLREELQQITW
QTFLQEEIENYQNKQREVMWQLCAIKITEAIQYVVEFAKRIDGFMELCQNDQIVLLKAGS
LEVVFIRMCRAFDSQNNTVYFDGKYASPDVFKSLGCEDFISFVFEFGKSLCSMHLTEDEI
ALFSAFVLMSADRSWLQEKVKIEKLQQKIQLALQHVLQKNHREDGILTKLICKVSTLRAL
CGRHTEKLMAFKAIYPDIVRLHFPPLYKELFTSEFEPAMQIDG
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| BDBM50368993 |
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| n/a |
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| Name | BDBM50368993 |
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| Synonyms: | CHEMBL4163193 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H21F3N4O5S2 |
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| Mol. Mass. | 566.573 |
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| SMILES | CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cc(cnc1OCC(F)(F)F)C#N |
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| Structure | 
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