Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma [262-507]
Ligand
BDBM253157
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA)
Temperature
298.15±n/a K
IC50
16±n/a nM
Comments
extracted
Citation
 Duan, J; Dhar, TG; Jiang, B; Lu, Z; Xiao, H Pyrrolidinyl sulfone RORγ modulators US Patent  US9458171 Publication Date 10/4/2016 
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:
BDBM253157
Synonyms:
US9458171, 117
Type:
Small organic molecule
Emp. Form.:
C28H27F8NO5S
Mol. Mass.:
641.57
SMILES:
Cc1cc(ccc1F)S(=O)(=O)[C@]1(CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:11.29,21.26,wD:18.19,(2.32,6.24,;2.8,4.77,;1.77,3.63,;2.25,2.16,;3.75,1.84,;4.78,2.99,;4.31,4.45,;5.34,5.6,;1.22,1.02,;2.36,-.01,;.07,2.05,;.18,-.12,;-1.06,-1.03,;-.59,-2.49,;.95,-2.49,;1.43,-1.03,;1.86,-3.74,;3.39,-3.58,;1.23,-5.15,;-.3,-5.31,;-.92,-6.71,;-.02,-7.96,;1.51,-7.8,;2.14,-6.39,;-.65,-9.37,;.26,-10.61,;-2.18,-9.53,;-.85,1.02,;-.37,2.48,;-1.4,3.63,;-2.91,3.31,;-3.38,1.84,;-2.35,.7,;-3.94,4.45,;-4.97,5.6,;-5.08,3.42,;-6.23,2.39,;-6.11,4.57,;-4.05,2.28,;-2.79,5.48,;-1.65,6.51,;-1.76,4.34,;-3.82,6.63,)|
Structure:
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