Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261380
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
762±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:
BDBM261380
Synonyms:
US9708253, 38 | US9708253, 40
Type:
Small organic molecule
Emp. Form.:
C35H29F9N2O4S
Mol. Mass.:
744.666
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)NC(=O)Cc1ccncc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F |r,wU:10.28,wD:13.17,(2.96,6.43,;1.97,5.25,;.45,5.52,;-.54,4.34,;-.01,2.89,;1.5,2.63,;2.49,3.81,;-1,1.71,;-2.18,2.7,;.18,.72,;-1.99,.53,;-2.52,-.91,;-4.04,-1.18,;-5.03,-0,;-4.5,1.45,;-2.98,1.71,;-6.54,-.27,;-7.53,.91,;-7.01,2.36,;-9.05,.64,;-10.04,1.82,;-11.56,1.56,;-12.55,2.74,;-12.02,4.18,;-10.5,4.45,;-9.51,3.27,;-.66,-.24,;-.66,-1.78,;.67,-2.55,;2.01,-1.78,;2.01,-.24,;.67,.53,;3.34,-2.55,;4.68,-3.32,;6.01,-2.55,;7.34,-3.32,;8.68,-2.55,;8.68,-1.01,;10.01,-3.32,;10.01,-4.86,;8.68,-5.63,;7.34,-4.86,;6.01,-5.63,;4.11,-1.21,;4.88,.12,;2.78,-.44,;5.45,-1.98,;2.57,-3.88,;1.8,-5.21,;1.24,-3.11,;3.91,-4.65,)|
Structure:
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