Reaction Details  Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50586147
Substrate
n/a
Meas. Tech.
ChEMBL_2165223 (CHEMBL5050084)
EC50
>30000±n/a nM
Citation
 Fujimoto, T; Rikimaru, K; Fukuda, K; Sugimoto, H; Masuda, K; Ohyabu, N; Banno, Y; Tokunaga, N; Kawamoto, T; Tomata, Y; Kumagai, Y; Iida, M; Nagano, Y; Yoneyama-Hirozane, M; Shimizu, Y; Sasa, K; Ishikawa, T; Yukitake, H; Ito, M; Aoyama, K; Matsumoto, T Discovery of TAK-925 as a Potent, Selective, and Brain-Penetrant Orexin 2 Receptor Agonist. ACS Med Chem Lett 13:457-462 (2022) [PubMed]  Article
Target
Name:
Orexin receptor type 2
Synonyms:
HCRTR2 | Hypocretin receptor type 2 | OX2R_HUMAN | Orexin receptor type 2 (OR 2) | Orexin receptor type 2 (OR-2) | Orexin receptor type 2 (OX2) | Orexin receptor type 2 (OX2R) | Orexin receptor type 2 (OxR2) | Ox-2-R | Ox2-R
Type:
Protein
Mol. Mass.:
50710.53
Organism:
Homo sapiens (Human)
Description:
O43614
Residue:
444
Sequence:
MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
  
Inhibitor
Name:
BDBM50586147
Synonyms:
CHEMBL5074631
Type:
Small organic molecule
Emp. Form.:
C19H36N2O4S
Mol. Mass.:
388.565
SMILES:
CCS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@@H](CC1)C(C)C)C(C)=O |r,wU:6.5,11.12,14.14,wD:17.21,(6.67,1.54,;5.33,.77,;4,1.54,;4.77,2.88,;3.23,2.88,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;-0,-.77,;-0,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;-5.33,3.85,;-6.67,3.08,;-5.33,5.39,;-0,-3.85,;-1.33,-3.08,;-0,-5.39,)|
Structure:
Search PDB for entries with ligand similarity: