Reaction Details  Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50502404
Substrate
n/a
Meas. Tech.
ChEMBL_1807467 (CHEMBL4306826)
IC50
25±n/a nM
Citation
 von Berg, S; Xue, Y; Collins, M; Llinas, A; Olsson, RI; Halvarsson, T; Lindskog, M; Malmberg, J; Jirholt, J; Krutrök, N; Ramnegård, M; Brännström, M; Lundqvist, A; Lepistö, M; Aagaard, A; McPheat, J; Hansson, EL; Chen, R; Xiong, Y; Hansson, TG; Narjes, F Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. ACS Med Chem Lett 10:972-977 (2019) [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:
BDBM50502404
Synonyms:
CHEMBL4435215
Type:
Small organic molecule
Emp. Form.:
C25H22F6N4O5S
Mol. Mass.:
604.521
SMILES:
CCS(=O)(=O)c1ccc(cc1)C(NC(=O)Cc1ccnnc1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: