Reaction Details | |||
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Target | Nuclear receptor ROR-gamma | ||
Ligand | BDBM317894 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Binding Assay | ||
Ki | <100±n/a nM | ||
Citation | Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Jia, L; Liu, Z; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zheng, Y; Zhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent US9624217 Publication Date 4/18/2017 | ||
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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BDBM317894 | |||
n/a | |||
Name | BDBM317894 | ||
Synonyms: | US10399976, Compound 47 | US10807980, Compound 47 | US11535614, Compound 47 | US9624217, Compound 47 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H33F3N4O4S | ||
Mol. Mass. | 566.636 | ||
SMILES | CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)C(=O)c3c2)nc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-2.19,;8.93,-2.96,;9.7,-4.3,;8.16,-4.3,;7.6,-2.19,;7.6,-.65,;6.27,.12,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-4.93,1.31,;-3.07,-.65,;-1.74,.12,;4.93,-2.19,;6.27,-2.96,)| | ||
Structure |