Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor ROR-gamma
LigandBDBM50106301
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1878648 (CHEMBL4380042)
IC50 7.8±n/a nM
Citation Meijer, FADoveston, RGde Vries, RMJMVos, GMVos, AAALeysen, SScheepstra, MOttmann, CMilroy, LGBrunsveld, L Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor ?t (ROR?t) Inverse Agonists. J Med Chem63:241-259 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-gamma
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:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50106301
n/a
NameBDBM50106301
Synonyms:CHEMBL3598140
TypeSmall organic molecule
Emp. Form.C22H12ClF3N2O3
Mol. Mass.444.79
SMILESOC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: