Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM514589
Substrate
n/a
Meas. Tech.
ChEMBL_2075819 (CHEMBL4731353)
IC50
0.270000±n/a nM
Citation
 Sabnis, RW Novel 5-Alkyl Pyrrolidine Orexin Receptor Agonists for Treating Sleep Disorders. ACS Med Chem Lett 11:2085-2086 (2020) [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:
BDBM514589
Synonyms:
US11098029, Example 25
Type:
Small organic molecule
Emp. Form.:
C21H32FN3O5S
Mol. Mass.:
457.559
SMILES:
CNS(=O)(=O)N[C@H]1C[C@@H](C)N([C@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1)C(=O)OC |r,wU:17.21,14.14,11.12,6.5,8.8,(-.26,2.51,;.65,1.26,;2.18,1.42,;2.02,2.96,;2.34,-.11,;3.71,1.59,;4.62,.34,;6.16,.34,;6.63,-1.13,;7.96,-1.9,;5.39,-2.03,;4.14,-1.13,;2.65,-1.52,;1.56,-.43,;.08,-.83,;-.32,-2.32,;-1.81,-2.72,;-2.9,-1.63,;-2.5,-.14,;-1.01,.26,;-4.39,-2.03,;-4.79,-3.52,;-6.27,-3.92,;-7.36,-2.83,;-6.96,-1.34,;-8.05,-.25,;-5.48,-.94,;5.39,-3.57,;4.05,-4.34,;6.72,-4.34,;8.05,-3.57,)|
Structure:
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