Reaction Details |
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Target | Nuclear receptor ROR-gamma |
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Ligand | BDBM50544863 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1993914 (CHEMBL4627809) |
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IC50 | 46±n/a nM |
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Citation | Jiang, X; Dulubova, I; Reisman, SA; Hotema, M; Lee, CI; Liu, L; McCauley, L; Trevino, I; Ferguson, DA; Eken, Y; Wilson, AK; Wigley, WC; Visnick, M A novel series of cysteine-dependent, allosteric inverse agonists of the nuclear receptor ROR?t. Bioorg Med Chem Lett30:0 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Nuclear receptor ROR-gamma |
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Name: | Nuclear receptor ROR-gamma |
Synonyms: | NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc) |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 58218.40 |
Organism: | Homo sapiens (Human) |
Description: | P51449 |
Residue: | 518 |
Sequence: | MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
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BDBM50544863 |
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n/a |
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Name | BDBM50544863 |
Synonyms: | CHEMBL4638990 | US11292781, Compound T147 |
Type | Small organic molecule |
Emp. Form. | C34H27FN4O |
Mol. Mass. | 526.6028 |
SMILES | [H][C@]12CCc3c(nc(nc3[C@@]1(C=C(C#N)C(=O)[C@@H]2C)c1ccccc1)-c1ccnc(c1)C1CC1)-c1ccccc1F |r,t:13| |
Structure |
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