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Target
Nuclear receptor ROR-gamma
Ligand
BDBM344461
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET Assay
IC50
4.00±n/a nM
Citation
 Aicher, TD; VanHuis, CA; MacLean, J; Andresen, BM; Barr, KJ; Bienstock, C; Daniels, M; Liu, K; Liu, Y; White, C; Sciammetta, N; Simov, V Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease US Patent  US9783511 Publication Date 10/10/2017 
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:
BDBM344461
Synonyms:
(S)-3-(4-((4-fluoro-3- methylphenyl)sulfonyl)-6- ((((1,1,1-trifluoro-2- methylpropan-2- yl)oxy)carbonyl)amino)- 3,4-dihydro-2H- benzo[b][1,4]oxazin-2- yl)propanoic acid | US9783511, 6P
Type:
Small organic molecule
Emp. Form.:
C23H24F4N2O7S
Mol. Mass.:
548.504
SMILES:
Cc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12 |r|
Structure:
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