Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma [262-507]
Ligand
BDBM253425
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA)
Temperature
298.15±n/a K
IC50
24±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:
Homo sapiens (Human)
Description:
aa 262-507
Residue:
246
Sequence:
APYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFS
  
Inhibitor
Name:
BDBM253425
Synonyms:
US9458171, 385
Type:
Small organic molecule
Emp. Form.:
C27H24F9NO5S
Mol. Mass.:
645.534
SMILES:
OC(=O)[C@@]1(F)CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:15.18,3.2,wD:7.10,3.3,(2.91,-8.62,;1.52,-7.95,;.25,-8.81,;1.42,-6.41,;.2,-7.36,;.51,-5.16,;1.14,-3.76,;2.67,-3.6,;3.57,-4.84,;2.95,-6.25,;3.3,-2.19,;4.83,-2.03,;2.39,-.94,;.85,-.94,;.37,.52,;1.62,1.43,;2.87,.52,;.09,1.27,;-.54,-.14,;-2.07,-.3,;-2.97,.94,;-2.35,2.35,;-.82,2.51,;-4.51,.78,;-4.34,-.75,;-4.67,2.31,;-4.83,3.85,;-3.14,2.48,;-6.2,2.15,;-6.04,.62,;-7.57,.46,;-7.07,1.77,;-5.88,-.91,;2.65,2.57,;3.8,1.54,;3.68,3.72,;1.51,3.6,;.04,3.13,;-1.1,4.16,;-.78,5.66,;-1.93,6.69,;.68,6.14,;1.83,5.11,)|
Structure:
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