Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM344434
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET Assay
IC50
6.00±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:
BDBM344434
Synonyms:
(S or R)-ethyl 3-((S)-4-((3-chloro- 1-ethyl-1H-pyrazol-4- yl)sulfonyl)-6-((((1,1,1-trifluoro- 2-methylpropan-2- yl)oxy)carbonyl)amino)-3,4- dihydro-2H-benzo[b][1,4]oxazin- 2-yl)-2-methylpropanoate | US9783511, 3E
Type:
Small organic molecule
Emp. Form.:
C24H30ClF3N4O7S
Mol. Mass.:
611.031
SMILES:
CCOC(=O)[C@H](C)C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cn(CC)nc1Cl
Structure:
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