Target
Nuclear receptor ROR-gamma
Ligand
BDBM261396
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
81.0±n/a nM
Comments
extracted
Citation
 Duan, JDhar, TGJiang, BKarmakar, AGupta, AKLu, ZWeigelt, 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:
BDBM261396
Synonyms:
US9708253, 54
Type:
Small organic molecule
Emp. Form.:
C27H22F8N2O3S
Mol. Mass.:
606.527
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)NC(=O)c1cccnc1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:10.27,wD:13.17,(6.55,.22,;5.48,-.89,;3.99,-.52,;2.92,-1.63,;3.34,-3.11,;4.84,-3.48,;5.91,-2.37,;2.28,-4.21,;1.21,-5.32,;3.38,-5.28,;1.17,-3.14,;.31,-4.42,;-1.23,-4.31,;-1.91,-2.93,;-1.04,-1.65,;.49,-1.76,;-3.44,-2.82,;-4.3,-4.1,;-3.63,-5.48,;-5.84,-3.99,;-6.51,-2.61,;-8.05,-2.5,;-8.91,-3.78,;-8.24,-5.16,;-6.7,-5.27,;1.17,-1.6,;2.5,-.83,;2.5,.71,;1.17,1.48,;-.17,.71,;-.17,-.83,;1.17,3.02,;2.71,3.02,;-.37,3.02,;-1.91,3.02,;-.37,4.56,;-.37,1.48,;1.17,4.56,;1.17,6.1,;2.71,4.56,;-.08,5.46,)|
Structure:
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