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Target
Nuclear receptor ROR-gamma
Ligand
BDBM352821
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
3.33±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 
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:
BDBM352821
Synonyms:
1,1,1-trifluoro-2-methylpropan-2-yl ((R or S)-4-((3-chloro-1-ethyl-1H- pyrazol-4-yl)sulfonyl)-2-((S or R)- 2,2,2-trifluoro-1-hydroxyethyl)-3,4- dihydro-2H-benzo[b][1,4]oxazin-6- yl)carbamate | US10745364, Example 81F | US9809561, 81F
Type:
Small organic molecule
Emp. Form.:
C20H21ClF6N4O6S
Mol. Mass.:
594.912
SMILES:
CCn1cc(c(Cl)n1)S(=O)(=O)N1C[C@H](Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)[C@@H](O)C(F)(F)F |r|
Structure:
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