Reaction Details | |||
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Target | Nuclear receptor ROR-gamma | ||
Ligand | BDBM362867 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Binding Assay | ||
Ki | <100±n/a nM | ||
Citation | Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Jia, L; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zheng, Y; Zhuang, L Isoindoline inhibitors of ROR-gamma US Patent US9845308 Publication Date 12/19/2017 | ||
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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BDBM362867 | |||
n/a | |||
Name | BDBM362867 | ||
Synonyms: | US9845308, Example 3d | ||
Type | Small organic molecule | ||
Emp. Form. | C30H39F3N2O4S | ||
Mol. Mass. | 580.702 | ||
SMILES | CCS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2[C@@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:30.34,21.22,wD:27.27,11.14,(11.54,-2.31,;10.21,-3.08,;8.88,-2.31,;8.11,-3.64,;9.65,-.98,;7.54,-1.54,;6.16,-2.28,;4.83,-1.51,;4.83,.03,;6.16,.8,;7.5,.03,;3.49,.8,;3.49,2.34,;4.83,3.11,;2.16,.03,;.83,.8,;.83,2.34,;-.51,.03,;-.51,-1.51,;-1.84,-2.28,;-3.17,-1.51,;-4.64,-1.99,;-5.04,-3.48,;-6.52,-3.87,;-3.95,-4.56,;-5.54,-.74,;-7.08,-.74,;-7.85,.59,;-7.08,1.93,;-7.85,3.26,;-9.39,3.26,;-10.16,1.93,;-9.39,.59,;-10.16,4.59,;-9.39,5.93,;-11.7,4.59,;-10.93,5.93,;-4.64,.5,;-3.17,.03,;-1.84,.8,)| | ||
Structure |