Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261443
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
1443±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:
BDBM261443
Synonyms:
US9708253, 102 | US9708253, 108
Type:
Small organic molecule
Emp. Form.:
C28H24F8N2O3S
Mol. Mass.:
620.554
SMILES:
Fc1ccc(cc1)S(=O)(=O)C1(CCC(CC1)C(=O)NCc1ccncc1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |(6.72,.87,;5.21,.6,;4.22,1.78,;2.7,1.51,;2.17,.07,;3.16,-1.11,;4.68,-.85,;.66,-.2,;.39,1.32,;.92,-1.72,;-.86,-.47,;-.33,-1.91,;-1.32,-3.09,;-2.84,-2.83,;-3.37,-1.38,;-2.38,-.2,;-3.83,-4.01,;-5.35,-3.74,;-3.3,-5.45,;-4.29,-6.63,;-3.77,-8.08,;-2.25,-8.35,;-1.72,-9.8,;-2.71,-10.97,;-4.23,-10.71,;-4.76,-9.26,;-.86,1.07,;.47,1.84,;.47,3.38,;-.86,4.15,;-2.19,3.38,;-2.19,1.84,;-.86,5.69,;-.86,7.23,;.68,5.69,;2.22,5.69,;.68,4.15,;.68,7.23,;-2.4,5.69,;-3.94,5.69,;-2.4,7.23,;-2.4,4.15,)|
Structure:
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