Reaction Details  Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50369025
Substrate
n/a
Meas. Tech.
ChEMBL_1736348 (CHEMBL4151884)
IC50
33±n/a nM
Citation
 Narjes, F; Xue, Y; von Berg, S; Malmberg, J; Llinas, A; Olsson, RI; Jirholt, J; Grindebacke, H; Leffler, A; Hossain, N; Lepistö, M; Thunberg, L; Leek, H; Aagaard, A; McPheat, J; Hansson, EL; Bäck, E; Tångefjord, S; Chen, R; Xiong, Y; Hongbin, G; Hansson, TG Potent and Orally Bioavailable Inverse Agonists of ROR?t Resulting from Structure-Based Design. J Med Chem 61:7796-7813 (2018) [PubMed]  Article
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:
BDBM50369025
Synonyms:
CHEMBL4170500
Type:
Small organic molecule
Emp. Form.:
C26H21F3N2O5S2
Mol. Mass.:
562.581
SMILES:
CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cccnc2Oc2ccc(OC(F)(F)F)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: