Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261460
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
141±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:
BDBM261460
Synonyms:
(1-((1s,4s)-4-(4-fluorophenylsulfonyl)-4-(4-(perfluoropropan-2-yl)phenyl)cyclohexyl)-1 H-1,2,3-triazol-4-yl)(morpholino)methanone | US9708253, 119
Type:
Small organic molecule
Emp. Form.:
C28H26F8N4O4S
Mol. Mass.:
666.583
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)n1cc(nn1)C(=O)N1CCOCC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:13.17,wD:10.32,(-2.94,-8.61,;-3.31,-7.12,;-2.2,-6.05,;-2.57,-4.55,;-4.05,-4.13,;-5.16,-5.2,;-4.79,-6.69,;-4.43,-2.63,;-4.8,-1.14,;-5.92,-3.01,;-2.93,-2.26,;-1.4,-2.42,;-.5,-1.18,;-1.12,.23,;-2.65,.39,;-3.56,-.85,;-.22,1.48,;-.69,2.94,;.55,3.85,;1.8,2.94,;1.32,1.48,;.55,5.39,;-.78,6.16,;1.89,6.16,;1.89,7.7,;3.22,8.47,;4.55,7.7,;4.55,6.16,;3.22,5.39,;-1.63,-3.08,;-1.68,-4.62,;-.37,-5.43,;.99,-4.71,;1.04,-3.17,;-.27,-2.35,;2.29,-5.52,;1.48,-6.83,;3.11,-4.22,;3.92,-2.91,;4.41,-5.03,;1.8,-3.4,;3.6,-6.34,;4.9,-7.16,;2.78,-7.65,;5.03,-5.76,)|
Structure:
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