Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM221359
Substrate
n/a
Meas. Tech.
In Vitro Assay
Temperature
310.15±n/a K
IC50
100±n/a nM
Comments
extracted
Citation
 Bolli, M; Boss, C; Brotschi, C; Gude, M; Heidmann, B; Sifferlen, T; Williams, JT Pyrazole and imidazole derivatives useful as orexin antagonists US Patent  US9303023 Publication Date 4/5/2016 
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:
BDBM221359
Synonyms:
US9303023, 55
Type:
Small organic molecule
Emp. Form.:
C22H23N7O5
Mol. Mass.:
465.4619
SMILES:
COc1ccc(cc1)-c1ocnc1C(=O)Nc1cnn(CCNc2nc(OC)cc(OC)n2)c1
Structure:
Search PDB for entries with ligand similarity: