Target
Nuclear receptor ROR-gamma
Ligand
BDBM342014
Substrate
n/a
Meas. Tech.
SPA Binding Assay
IC50
35.0±n/a nM
Citation
 Duan, JDhar, TGJiang, BLu, ZKarmakar, AGupta, AKWeigelt, 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:
BDBM342014
Synonyms:
US9771320, Example 248
Type:
Small organic molecule
Emp. Form.:
C31H23F9N2O4S
Mol. Mass.:
690.576
SMILES:
Fc1ccc(cc1)S(=O)(=O)C1(CC(C1)NC(=O)C1(CC1)C#N)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F |(-1.88,6.66,;-2.01,5.13,;-3.41,4.48,;-3.54,2.94,;-2.28,2.06,;-.89,2.71,;-.75,4.24,;-2.42,.52,;-3.95,.66,;-.88,.39,;-2.55,-1.01,;-2.68,-2.54,;-4.22,-2.41,;-4.08,-.88,;-5.4,-3.4,;-6.85,-2.87,;-7.11,-1.36,;-8.02,-3.86,;-7.25,-5.2,;-8.79,-5.2,;-9.2,-2.87,;-10.38,-1.88,;-1.02,-1.14,;-.37,-2.54,;1.17,-2.67,;2.05,-1.41,;1.4,-.02,;-.13,.12,;3.59,-1.55,;5.12,-1.68,;6,-.42,;7.54,-.55,;8.42,.71,;7.77,2.1,;9.96,.57,;10.61,-.82,;9.72,-2.08,;8.19,-1.95,;7.31,-3.21,;3.72,-.01,;3.85,1.52,;2.19,.12,;5.25,-.15,;3.45,-3.08,;3.32,-4.61,;1.92,-2.95,;4.99,-3.21,)|
Structure:
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