Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261387
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
1966±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:
BDBM261387
Synonyms:
US9708253, 45
Type:
Small organic molecule
Emp. Form.:
C33H31F9N2O5S
Mol. Mass.:
738.66
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@]1(CC[C@@H](CC1)NC(=O)N1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F |r,wU:10.27,13.17,(5.59,-3.46,;4.11,-3.89,;3,-2.82,;1.52,-3.24,;1.15,-4.74,;2.26,-5.81,;3.74,-5.38,;-.33,-5.16,;-1.81,-5.59,;.1,-6.64,;-.75,-3.68,;-.65,-2.15,;-1.92,-1.28,;-3.31,-1.96,;-3.41,-3.5,;-2.14,-4.36,;-4.58,-1.1,;-5.97,-1.77,;-6.07,-3.31,;-7.24,-.91,;-8.63,-1.59,;-9.91,-.73,;-9.8,.81,;-8.41,1.49,;-7.14,.62,;.02,-2.35,;1.56,-2.35,;2.33,-1.01,;1.56,.32,;.02,.32,;-.75,-1.01,;2.33,1.65,;3.66,.88,;4.99,1.65,;6.33,.88,;7.66,1.65,;7.66,3.19,;9,.88,;9,-.66,;7.66,-1.43,;6.33,-.66,;4.99,-1.43,;3.1,2.99,;3.87,4.32,;1.76,3.76,;4.43,2.22,;.99,2.42,;-.34,3.19,;.83,3.95,;.22,1.09,)|
Structure:
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