Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM342028
Substrate
n/a
Meas. Tech.
SPA Binding Assay
IC50
41.0±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:
BDBM342028
Synonyms:
US9771320, Example 262
Type:
Small organic molecule
Emp. Form.:
C28H22F9NO5S
Mol. Mass.:
655.529
SMILES:
COC(=O)NC1CC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |(-4.29,-10.08,;-2.96,-9.31,;-2.96,-7.77,;-4.29,-7,;-1.62,-7,;-1.62,-5.46,;-.53,-4.37,;-1.62,-3.28,;-2.71,-4.37,;-.53,-2.19,;.95,-2.59,;2.04,-1.5,;1.65,-.01,;.16,.39,;-.93,-.7,;2.73,1.08,;3.82,2.17,;3.42,3.65,;4.51,4.74,;4.11,6.23,;2.63,6.63,;5.2,7.32,;6.69,6.92,;7.09,5.43,;6,4.34,;6.4,2.86,;3.82,-.01,;4.91,-1.1,;2.73,-1.1,;4.91,1.08,;1.65,2.17,;.56,3.26,;.56,1.08,;2.73,3.26,;-2.71,-2.19,;-3.8,-3.28,;-1.62,-1.1,;-3.8,-1.1,;-5.29,-1.5,;-6.38,-.41,;-5.98,1.08,;-7.07,2.17,;-4.49,1.48,;-3.4,.39,)|
Structure:
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