Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261454
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
75.0±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:
BDBM261454
Synonyms:
4-((1s,4s)-4-((4-fluorophenyl)sulfonyl)-4-(4-(perfluoropropan-2-yl)phenyl)cyclohexyl)thiomorpholine 1,1-dioxide | US9708253, 113
Type:
Small organic molecule
Emp. Form.:
C25H25F8NO4S2
Mol. Mass.:
619.588
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)N1CCS(=O)(=O)CC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:13.17,wD:10.26,(6.65,-.3,;5.58,-1.4,;4.09,-1.03,;3.02,-2.14,;3.44,-3.62,;4.94,-3.99,;6,-2.88,;2.37,-4.73,;1.3,-5.83,;3.48,-5.8,;1.26,-3.66,;.59,-2.27,;-.95,-2.17,;-1.81,-3.44,;-1.13,-4.83,;.4,-4.93,;-3.35,-3.33,;-4.21,-4.61,;-5.74,-4.5,;-6.42,-3.12,;-7.82,-3.75,;-7.72,-2.3,;-5.56,-1.84,;-4.02,-1.95,;1.26,-2.12,;2.6,-1.35,;2.6,.19,;1.26,.96,;-.07,.19,;-.07,-1.35,;1.26,2.5,;2.8,2.5,;-.28,2.5,;-1.82,2.5,;-.28,4.04,;-.28,.96,;1.26,4.04,;1.26,5.58,;2.8,4.04,;.02,4.95,)|
Structure:
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