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Target
Nuclear receptor ROR-gamma
Ligand
BDBM328811
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET assay
IC50
2.99±n/a nM
Citation
 Aicher, TD; VanHuis, CA; MacLean, J; Andresen, BM; Barr, KJ; Bienstock, C; Anthony, NJ; Daniels, M; Liu, Y; White, C; Lapointe, BT; Sciammetta, N; Simov, V; Trotter, WB; Liu, K 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease US Patent  US9663502 Publication Date 5/30/2017 
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:
BDBM328811
Synonyms:
(S)-1,1,1-trifluoro-2-methylpropan-2-yl (2-(cyclopropanesulfonamidomethyl)- 4-((4-fluoro-3- methoxyphenyl)sulfonyl)-3,4-dihydro- 2H-benzo[b][1,4]oxazin-6- yl)carbamate | US9663502, 36G
Type:
Small organic molecule
Emp. Form.:
C24H27F4N3O8S2
Mol. Mass.:
625.61
SMILES:
COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12 |r|
Structure:
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