| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear receptor ROR-alpha |
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| Ligand | BDBM498080 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Receptor Competition Binding Assay |
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| Ki | 3271±4105 nM |
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| Citation |  Clarke, CA; Lugar, III, CW; Morphy, JR; Richardson, TI; Rudyk, H; Sapmaz, S; Stites, RE; Vaught, GM Compounds useful for inhibiting RORγt US Patent US11008336 Publication Date 5/18/2021 |
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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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| BDBM498080 |
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| n/a |
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| Name | BDBM498080 |
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| Synonyms: | 1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulfonyl)benzyl]- 4',5'- dihydrospiro[piperidine- 4,7'-thieno[2,3- c]pyran]-2'- carboxamide | US11008336, Example 64 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H33N3O4S2 |
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| Mol. Mass. | 563.731 |
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| SMILES | CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r| |
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| Structure | 
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