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Target
Nuclear receptor ROR-gamma
Ligand
BDBM328756
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET assay
IC50
3.87±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:
BDBM328756
Synonyms:
(S)-1,1,1-trifluoro-2- methylpropan-2-yl (4-((3- chloro-4- fluorophenyl)sulfonyl)-2-((3- methyloxetane-3- carboxamido)methyl)-3,4- dihydro-2H- benzo[b][1,4]oxazin-6- yl)carbamate | US9663502, 34Bi
Type:
Small organic molecule
Emp. Form.:
C25H26ClF4N3O7S
Mol. Mass.:
624.001
SMILES:
CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)C3(C)COC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F |r|
Structure:
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