Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50597077
Substrate
n/a
Meas. Tech.
ChEMBL_2222792 (CHEMBL5136126)
Ki
45000±n/a nM
Citation
 Iijima, T; Katoh, M; Takedomi, K; Yamamoto, Y; Akatsuka, H; Shirata, N; Nishi, A; Takakuwa, M; Watanabe, Y; Munakata, H; Koyama, N; Ikeda, T; Iguchi, T; Kato, H; Kikkawa, K; Kawaguchi, T Discovery of Apararenone (MT-3995) as a Highly Selective, Potent, and Novel Nonsteroidal Mineralocorticoid Receptor Antagonist. J Med Chem 65:8127-8143 (2022) [PubMed] 
Target
Name:
Glucocorticoid receptor
Synonyms:
GCR_RAT | Glucocorticoid | Glucocorticoid Receptor (GR) | Glucocorticoid receptor | Grl | Nr3c1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
87556.83
Organism:
RAT
Description:
Glucocorticoid 0 RAT::P06536
Residue:
795
Sequence:
MDSKESLAPPGRDEVPGSLLGQGRGSVMDFYKSLRGGATVKVSASSPSVAAASQADSKQQRILLDFSKGSTSNVQQRQQQQQQQQQQQQQQQQQQQPDLSKAVSLSMGLYMGETETKVMGNDLGYPQQGQLGLSSGETDFRLLEESIANLNRSTSVPENPKSSTSATGCATPTEKEFPKTHSDASSEQQNRKSQTGTNGGSVKLYPTDQSTFDLLKDLEFSAGSPSKDTNESPWRSDLLIDENLLSPLAGEDDPFLLEGNTNEDCKPLILPDTKPKIKDTGDTILSSPSSVALPQVKTEKDDFIELCTPGVIKQEKLGPVYCQASFSGTNIIGNKMSAISVHGVSTSGGQMYHYDMNTASLSQQQDQKPVFNVIPPIPVGSENWNRCQGSGEDSLTSLGALNFPGRSVFSNGYSSPGMRPDVSSPPSSSSAATGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQATAGVSQDTSENPNKTIVPAALPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSAWRIMTTLNMLGGRQVIAAVKWAKAILGLRNLHLDDQMTLLQYSWMFLMAFALGWRSYRQSSGNLLCFAPDLIINEQRMSLPCMYDQCKHMLFVSSELQRLQVSYEEYLCMKTLLLLSSVPKEGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLTYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK
  
Inhibitor
Name:
BDBM50597077
Synonyms:
CHEMBL5172350
Type:
Small organic molecule
Emp. Form.:
C15H18N2O2S
Mol. Mass.:
290.381
SMILES:
CCN(c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: