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Target
Nuclear receptor ROR-gamma
Ligand
BDBM414411
Substrate
n/a
Meas. Tech.
General RORgamma Gal4 Reporter Assay
IC50
5.00±n/a nM
Citation
 Marcoux, D; Beaudoin Bertrand, M; Dhar, TG; Yang, MG; Xiao, Z; Xiao, H; Zhu, Y; Weigelt, CA; Batt, DG Tricyclic sulfones as ROR gamma modulators US Patent  US10435369 Publication Date 10/8/2019 
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:
BDBM414411
Synonyms:
4-fluoro-N-((3R,3aS,9bS)-9b-((4-fluorophenyl)sulfonyl)-7-(perfluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide and N-((3R,3aS,9bS)-9b-((4-fluorophenyl)sulfonyl)-7-(perfluoropropan-2-yl)-2,3,3a4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl)-3,6-dihydro-2H-thiopyran-4-carboxamide 1,1-dioxide | US10435369, Example 298 | US10435369, Example 299
Type:
Small organic molecule
Emp. Form.:
C28H26F9NO5S2
Mol. Mass.:
691.625
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3(F)CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r|
Structure:
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