Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50601261
Substrate
n/a
Meas. Tech.
ChEMBL_2236092 (CHEMBL5149864)
IC50
0.040000±n/a nM
Citation
 Sabnis, RW Novel 3-Aminopyrrolidine and Piperidine Macrocyclic Orexin Receptor Agonists for Treating Sleep Disorders. ACS Med Chem Lett 13:1390-1391 (2022) [PubMed] 
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:
BDBM50601261
Synonyms:
CHEMBL5196538
Type:
Small organic molecule
Emp. Form.:
C21H31N3O6S
Mol. Mass.:
453.552
SMILES:
CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(OCCOC(=O)N12)n3 |(3.17,5.31,;1.84,4.54,;.47,5.16,;-.6,4,;-2.14,4,;-2.91,5.34,;-2.14,6.67,;-4.24,6.11,;-4.24,4.57,;.17,2.67,;-.6,1.34,;-2.14,1.34,;-2.91,0,;-1.37,0,;-.6,-1.33,;-1.37,-2.66,;-2.91,-2.66,;-3.68,-1.33,;-.6,-4,;-1.37,-5.34,;-.6,-6.67,;.94,-6.67,;1.71,-5.33,;3.06,-3.88,;2.42,-2.1,;3.45,-.66,;2.36,.43,;2.76,1.91,;4.24,2.31,;1.67,3,;.94,-4,)|
Structure:
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