Reaction Details | |||
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Target | Nuclear receptor ROR-gamma | ||
Ligand | BDBM329652 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Binding Assay | ||
Ki | <100±n/a nM | ||
Citation | Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent US9663515 Publication Date 5/30/2017 | ||
More Info.: | Get all data from this article, Assay Method | ||
Nuclear receptor ROR-gamma | |||
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: |
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BDBM329652 | |||
n/a | |||
Name | BDBM329652 | ||
Synonyms: | US11001583, Compound 8 | US9663515, Compound 8 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H40F3N3O4S | ||
Mol. Mass. | 595.717 | ||
SMILES | CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1 |r,wU:31.35,28.28,11.15,wD:22.23,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;2.93,2.47,;2.93,4.01,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)| | ||
Structure |