Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261433
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
124±n/a nM
Comments
extracted
Citation
 Duan, J; Dhar, TG; Jiang, B; Karmakar, A; Gupta, AK; Lu, Z; Weigelt, CA Cyclohexyl sulfone RORγ modulators US Patent  US9708253 Publication Date 7/18/2017 
Target
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:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM261433
Synonyms:
4-((4-fluorophenyl)sulfonyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)cyclohexanecarboxylic acid, Diastereomer 1 | US9708253, 92
Type:
Small organic molecule
Emp. Form.:
C29H24F7NO3S
Mol. Mass.:
599.56
SMILES:
Fc1ccc(cc1)S(=O)(=O)C1(CCC(CC1)C#N)c1ccc(cc1)C(OCc1ccccc1)(C(F)(F)F)C(F)(F)F |w:13.17,(-6.98,1.46,;-5.46,1.72,;-4.47,.54,;-2.95,.81,;-2.43,2.26,;-3.42,3.44,;-4.93,3.17,;-.91,2.52,;-1.18,4.04,;-.64,1.01,;.61,2.79,;.08,4.24,;1.07,5.42,;2.59,5.15,;3.11,3.7,;2.12,2.52,;3.58,6.33,;4.57,7.51,;.61,1.25,;-.73,.48,;-.73,-1.06,;.61,-1.83,;1.94,-1.06,;1.94,.48,;.61,-3.37,;.61,-4.91,;1.94,-5.68,;1.94,-7.22,;.61,-7.99,;.61,-9.53,;1.94,-10.3,;3.27,-9.53,;3.27,-7.99,;2.15,-3.37,;3.69,-3.37,;2.15,-1.83,;2.15,-4.91,;-.93,-3.37,;-2.47,-3.37,;-.93,-1.83,;-.93,-4.91,)|
Structure:
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