Target
Nuclear receptor ROR-gamma
Ligand
BDBM352918
Substrate
n/a
Meas. Tech.
biochemical TR-FRET assay
IC50
4.49±n/a nM
Citation
 Aicher, TDVanHuis, CAThomas, WDMacLean, JKAndresen, BMBarr, KJBienstock, CEAnthony, NJDaniels, MLiu, KLiu, YWhite, CMLapointe, BTSciammetta, NSimov, V Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease US Patent  US10221146 Publication Date 3/5/2019 
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:
BDBM352918
Synonyms:
US10745364, Example 119 | US9809561, 119
Type:
Small organic molecule
Emp. Form.:
C21H17F7N2O5S
Mol. Mass.:
542.424
SMILES:
CC(C)(OC(=O)Nc1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: