Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma [262-507]
Ligand
BDBM327524
Substrate
n/a
Meas. Tech.
Spa Binding Assay
IC50
12.2±n/a nM
Citation
 Dhar, TG; Duan, J; Gong, H; Jiang, B; Lu, Z; Weinstein, DS RORγ modulators US Patent  US9663469 Publication Date 5/30/2017 
Target
Name:
Nuclear receptor ROR-gamma [262-507]
Synonyms:
NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (aa 262-507) | ROR-gamma (A262-S507) | RORC | RORG | RORG_HUMAN | RZRG
Type:
Enzyme Catalytic Domain
Mol. Mass.:
28605.37
Organism:
Human
Description:
aa 262-507
Residue:
246
Sequence:
APYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFS
  
Inhibitor
Name:
BDBM327524
Synonyms:
2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4-tetrahydroquinolin-2-yl)-N-(2-((trans-4-hydroxycyclohexyl)amino)-2-oxoethyl)acetamide | US9663469, 63
Type:
Small organic molecule
Emp. Form.:
C28H30F7N3O6S
Mol. Mass.:
669.608
SMILES:
O[C@H]1CC[C@@H](CC1)NC(=O)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r,wU:4.7,wD:15.15,1.0,(4.42,9.37,;4.42,7.83,;3.08,7.06,;3.08,5.52,;4.42,4.75,;5.75,5.52,;5.75,7.06,;4.42,3.21,;3.08,2.44,;3.08,.9,;1.75,3.21,;.42,2.44,;-.92,3.21,;-.92,4.75,;-2.25,2.44,;-2.25,.9,;-.92,.13,;-.92,-1.41,;-2.25,-2.18,;-2.25,-3.72,;-3.58,-4.49,;-4.92,-3.72,;-4.92,-2.18,;-3.58,-1.41,;-3.58,.13,;-4.92,.9,;-4.15,2.23,;-5.69,-.44,;-6.25,1.67,;-7.59,.9,;-8.92,1.67,;-8.92,3.21,;-10.25,3.98,;-7.59,3.98,;-6.25,3.21,;-3.58,-6.03,;-3.58,-7.57,;-5.12,-6.03,;-6.66,-6.03,;-5.12,-4.49,;-5.12,-7.57,;-2.04,-6.03,;-.5,-6.03,;-2.04,-4.49,;-2.04,-7.57,)|
Structure:
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