Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM352859
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
4.52±n/a nM
Citation
Aicher, TD; VanHuis, CA; Thomas, WD; MacLean, JK; Andresen, BM; Barr, KJ; Bienstock, CE; Anthony, NJ; Daniels, M; Liu, K; Liu, Y; White, CM; Lapointe, BT; Sciammetta, N; Simov, V Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease US Patent US9809561 Publication Date 11/7/2017
More Info.:
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:
BDBM352859
Synonyms:
(S)-1,1,1-trifluoro-2- methylpropan-2-yl (2-(2-cyano- 2-methylpropyl)-4-((4-fluoro-3- methylphenyl)sulfonyl)-3,4- dihydro-2H- benzo[b][1,4]oxazin-6- yl)carbamate | US10745364, Example 95E | US9809561, 95E
Type:
Small organic molecule
Emp. Form.:
C25H27F4N3O5S
Mol. Mass.:
557.558
SMILES:
Cc1cc(ccc1F)S(=O)(=O)N1C[C@H](CC(C)(C)C#N)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12 |r|