Reaction Details  Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50543820
Substrate
n/a
Meas. Tech.
ChEMBL_1990294 (CHEMBL4624029)
IC50
52±n/a nM
Citation
 Futamura, A; Suzuki, R; Tamura, Y; Kawamoto, H; Ohmichi, M; Hino, N; Tokumaru, Y; Kirinuki, S; Hiyoshi, T; Aoki, T; Kambe, D; Nozawa, D Discovery of ORN0829, a potent dual orexin 1/2 receptor antagonist for the treatment of insomnia. Bioorg Med Chem 28:0 (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:
BDBM50543820
Synonyms:
CHEMBL4633205
Type:
Small organic molecule
Emp. Form.:
C24H24FN7O
Mol. Mass.:
445.4921
SMILES:
Cc1ccc(c(c1)C(=O)N1CCCC[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r|
Structure:
Search PDB for entries with ligand similarity: