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Target
Nuclear receptor ROR-gamma
Ligand
BDBM328794
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET assay
IC50
4.35±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:
BDBM328794
Synonyms:
1,1,1-trifluoro-2-methylpropan- 2-yl ((S)-4-((3- (difluoromethoxy)-1-ethyl-1H- pyrazol-4-yl)sulfonyl)-2- (((1S,2S)-2- fluorocyclopropane- carboxamido)methyl)-3,4- dihydro-2H- benzo[b][1,4]oxazin-6- yl)carbamate | US9663502, 34CV
Type:
Small organic molecule
Emp. Form.:
C24H27F6N5O7S
Mol. Mass.:
643.556
SMILES:
CCn1cc(c(OC(F)F)n1)S(=O)(=O)N1C[C@H](CNC(=O)[C@@H]2C[C@@H]2F)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12 |r|
Structure:
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