Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261383
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
434±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:
BDBM261383
Synonyms:
US9708253, 41
Type:
Small organic molecule
Emp. Form.:
C32H26F9N3O4S
Mol. Mass.:
719.617
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)NC(=O)c1cn[nH]c1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F |r,wU:13.17,wD:10.26,(7.83,3.05,;6.84,1.87,;5.32,2.14,;4.33,.96,;4.86,-.49,;6.37,-.75,;7.36,.43,;3.87,-1.66,;2.69,-.67,;5.05,-2.65,;2.88,-2.84,;1.54,-3.61,;1.54,-5.15,;2.88,-5.92,;4.21,-5.15,;4.21,-3.61,;2.88,-7.46,;1.54,-8.23,;.21,-7.46,;1.54,-9.77,;.3,-10.68,;.77,-12.14,;2.31,-12.14,;2.79,-10.68,;1.89,-1.66,;2.41,-.22,;1.42,.96,;-.09,.69,;-.62,-.75,;.37,-1.93,;-1.08,1.87,;-2.07,3.05,;-3.59,2.79,;-4.58,3.97,;-6.1,3.7,;-6.62,2.25,;-7.09,4.88,;-6.56,6.33,;-5.04,6.59,;-4.05,5.41,;-2.54,5.68,;-2.26,.88,;-3.44,-.11,;-1.27,-.3,;-3.25,2.06,;.1,2.86,;1.28,3.85,;1.09,1.68,;-.89,4.04,)|
Structure:
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