Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM341977
Substrate
n/a
Meas. Tech.
SPA Binding Assay
IC50
53.0±n/a nM
Citation
 Duan, J; Dhar, TG; Jiang, B; Lu, Z; Karmakar, A; Gupta, AK; Weigelt, CA Carbocyclic sulfone RORγ modulators US Patent  US9771320 Publication Date 9/26/2017 
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:
BDBM341977
Synonyms:
US9771320, Example 211
Type:
Small organic molecule
Emp. Form.:
C33H25F9N2O4S
Mol. Mass.:
716.613
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]1(C[C@@H](C1)C(=O)NCc1ccncc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F |r,wU:10.26,wD:12.15,(-6.63,3.06,;-5.54,1.98,;-5.94,.49,;-4.85,-.6,;-3.37,-.2,;-2.97,1.29,;-4.06,2.37,;-2.28,-1.29,;-3.37,-2.38,;-1.19,-.2,;-1.19,-2.38,;-.1,-3.47,;-1.19,-4.56,;-2.28,-3.47,;-1.19,-6.1,;.14,-6.87,;-2.52,-6.87,;-2.52,-8.41,;-3.86,-9.18,;-3.86,-10.72,;-5.19,-11.49,;-6.52,-10.72,;-6.52,-9.18,;-5.19,-8.41,;-.1,-1.29,;1.39,-1.69,;2.48,-.6,;2.08,.89,;.59,1.29,;-.5,.2,;3.17,1.98,;4.26,3.06,;3.86,4.55,;4.95,5.64,;4.55,7.13,;3.06,7.53,;5.64,8.22,;7.12,7.82,;7.52,6.33,;6.43,5.24,;6.83,3.75,;2.08,3.06,;.99,4.15,;.99,1.98,;3.17,4.15,;4.26,.89,;5.34,-.2,;3.17,-.2,;5.34,1.98,)|
Structure:
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