Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50601259
Substrate
n/a
Meas. Tech.
ChEMBL_2236092 (CHEMBL5149864)
IC50
0.090000±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:
BDBM50601259
Synonyms:
CHEMBL5195414
Type:
Small organic molecule
Emp. Form.:
C23H33N3O5S
Mol. Mass.:
463.59
SMILES:
C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3ccccc3\C=C\OC(=O)N12 |r,wU:11.11,3.3,1.0,t:28,(3.17,4.64,;1.84,3.87,;.47,4.49,;-.6,3.34,;-2.14,3.34,;-2.91,4.67,;-4.24,5.44,;-4.24,3.9,;-2.14,6,;-2.91,7.34,;-.6,6,;.17,2,;-.6,.67,;-2.14,.67,;-2.91,-.66,;-1.37,-.66,;-.6,-2,;-1.37,-3.33,;-2.91,-3.33,;-3.68,-2,;-.6,-4.67,;-1.37,-6.01,;-.6,-7.34,;.94,-7.34,;1.71,-6,;.94,-4.67,;1.71,-3.33,;1.19,-1.76,;2.41,-.63,;2.76,1.25,;4.24,1.65,;1.67,2.34,)|
Structure:
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