Reaction Details | |||
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Target | Nuclear receptor ROR-gamma | ||
Ligand | BDBM351750 | ||
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 Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent US9796710 Publication Date 10/24/2017 | ||
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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BDBM351750 | |||
n/a | |||
Name | BDBM351750 | ||
Synonyms: | US9796710, Compound 43 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H43N3O5S | ||
Mol. Mass. | 557.745 | ||
SMILES | CCO[C@H]1CC[C@H](CN2Cc3cc(cnc3[C@@H]2C(C)C)C(=O)N[C@@H](CO)c2ccc(cc2)S(=O)(=O)CC)CC1 |r,wU:3.2,23.24,wD:6.6,16.18,(-11.38,5.37,;-10.61,4.04,;-9.07,4.04,;-8.3,2.7,;-6.76,2.7,;-5.99,1.37,;-6.76,.04,;-5.99,-1.3,;-4.45,-1.3,;-3.55,-.05,;-2.08,-.53,;-.75,.24,;.58,-.53,;.58,-2.07,;-.75,-2.84,;-2.08,-2.07,;-3.55,-2.54,;-3.95,-4.03,;-5.43,-4.43,;-2.86,-5.12,;1.92,.24,;1.92,1.78,;3.25,-.53,;4.59,.24,;4.59,1.78,;5.92,2.55,;5.92,-.53,;7.25,.24,;8.59,-.53,;8.65,-2.15,;7.25,-2.84,;5.92,-2.07,;9.97,-2.93,;9.19,-4.26,;10.76,-1.61,;11.3,-3.72,;12.64,-2.97,;-8.3,.04,;-9.07,1.37,)| | ||
Structure |