Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50552535
Substrate
n/a
Meas. Tech.
ChEMBL_2035018 (CHEMBL4689176)
EC50
30±n/a nM
Citation
 Ruan, Z; Park, PK; Wei, D; Purandare, A; Wan, H; O'Malley, D; Stachura, S; Perez, H; Cavallaro, CL; Weigelt, CA; Sack, JS; Ruzanov, M; Khan, J; Gururajan, M; Wong, JJ; Huang, Y; Yarde, M; Li, Z; Chen, C; Sun, H; Borowski, V; Xie, JH; Anthony, M; Agler, M; Fink, BE; Harikrishnan, LS Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-?t (ROR?t) agonists. Bioorg Med Chem Lett 35:0 (2021) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
Nr1f3 | Nuclear receptor RZR-gamma | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C | RORG_MOUSE | Retinoid-related orphan receptor-gamma | Rorc | Rorg | TOR | Thor | Thymus orphan receptor
Type:
PROTEIN
Mol. Mass.:
58133.31
Organism:
Mus musculus
Description:
ChEMBL_103664
Residue:
516
Sequence:
MDRAPQRHHRTSRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQCNVAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQQQQQEQVAKTPPAGSRGADTLTYTLGLSDGQLPLGASPDLPEASACPPGLLRASGSGPPYSNTLAKTEVQGASCHLEYSPERGKAEGRDSIYSTDGQLTLGRCGLRFEETRHPELGEPEQGPDSHCIPSFCSAPEVPYASLTDIEYLVQNVCKSFRETCQLRLEDLLRQRTNLFSREEVTSYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIILLTAGAMEVVLVRMCRAYNANNHTVFFEGKYGGVELFRALGCSELISSIFDFSHFLSALCFSEDEIALYTALVLINANRPGLQEKRRVEHLQYNLELAFHHHLCKTHRQGLLAKLPPKGKLRSLCSQHVEKLQIFQHLHPIVVQAAFPPLYKELFSTDVESPEGLSK
  
Inhibitor
Name:
BDBM50552535
Synonyms:
CHEMBL4796044
Type:
Small organic molecule
Emp. Form.:
C23H29Cl2N3O5S
Mol. Mass.:
530.464
SMILES:
COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CCN(CC3)S(C)(=O)=O)cc2Cl)cc1C(C)C
Structure:
Search PDB for entries with ligand similarity: