Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50502388
Substrate
n/a
Meas. Tech.
ChEMBL_1807495 (CHEMBL4306854)
IC50
32±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:
BDBM50502388
Synonyms:
CHEMBL4525318 | US11084784, Example 1
Type:
Small organic molecule
Emp. Form.:
C20H19F6NO4S
Mol. Mass.:
483.425
SMILES:
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(OC)(C(F)(F)F)C(F)(F)F)cc1
Structure:
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