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Target
Nuclear receptor ROR-gamma
Ligand
BDBM344532
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET Assay
IC50
6.96±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:
BDBM344532
Synonyms:
3-(4-[(3-ethoxy-1-ethyl-1H- pyrazol-4-yl)sulfonyl]-6- {[(2,2,2-trifluoro-1,1- dimethylethoxy)carbonyl] amino}-3,4-dihydro-2H-1,4- benzoxazin-2-yl)propanoic acid | US9783511, 6CB
Type:
Small organic molecule
Emp. Form.:
C23H29F3N4O8S
Mol. Mass.:
578.559
SMILES:
CCOc1nn(CC)cc1S(=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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