Reaction Details  Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM386065
Substrate
n/a
Meas. Tech.
ChEMBL_2165223 (CHEMBL5050084)
EC50
2500±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:
BDBM386065
Synonyms:
N-((2R,3S)-2-(((cis-4- phenylcyclohexyl)oxy)methyl)- piperidin-3-yl)methanesulfonamide | US10287305, Example 3 | US10287305, Example 333 | US10508083, Example 333 | US11292766, Example 333
Type:
Small organic molecule
Emp. Form.:
C19H30N2O3S
Mol. Mass.:
366.518
SMILES:
CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:16.20,13.13,10.11,5.4,(6.99,-1.33,;5.9,-.24,;5.5,1.25,;6.99,.85,;4.41,-.64,;4.01,-2.12,;5.1,-3.21,;4.7,-4.7,;3.21,-5.1,;2.12,-4.01,;2.52,-2.52,;1.43,-1.43,;-.05,-1.83,;-1.14,-.74,;-2.63,-1.14,;-3.72,-.05,;-3.32,1.43,;-1.83,1.83,;-.74,.74,;-4.41,2.52,;-4.01,4.01,;-5.1,5.1,;-6.59,4.7,;-6.99,3.21,;-5.9,2.12,)|
Structure:
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