Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261474
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
47.0±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
More Info.:
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:
BDBM261474
Synonyms:
US9708253, 133
Type:
Small organic molecule
Emp. Form.:
C28H29F8NO5S2
Mol. Mass.:
675.651
SMILES:
Fc1ccc(cc1)S(=O)(=O)C1(CCC(CC1)C(=O)NCC1CCS(=O)(=O)CC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |(7.49,-.51,;6.42,-1.62,;4.93,-1.25,;3.86,-2.35,;4.29,-3.83,;5.78,-4.21,;6.85,-3.1,;3.22,-4.94,;2.15,-6.05,;4.32,-6.01,;2.11,-3.87,;1.25,-5.15,;-.29,-5.04,;-.96,-3.66,;-.1,-2.38,;1.43,-2.49,;-2.5,-3.55,;-3.18,-2.17,;-3.36,-4.83,;-4.9,-4.72,;-5.76,-6,;-5.08,-7.38,;-5.95,-8.66,;-7.48,-8.55,;-7.64,-10.08,;-8.84,-9.27,;-8.16,-7.17,;-7.3,-5.89,;2.11,-2.33,;3.44,-1.56,;3.44,-.02,;2.11,.75,;.77,-.02,;.77,-1.56,;2.11,2.29,;3.65,2.29,;.57,2.29,;-.97,2.29,;.57,3.83,;.57,.75,;2.11,3.83,;2.11,5.37,;3.65,3.83,;.86,4.73,)|