Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM334957
Substrate
n/a
Meas. Tech.
In Vitro Assay
IC50
45.0±n/a nM
Citation
 Boss, C; Brotschi, C; Gude, M; Heidmann, B; Sifferlen, T; Williams, J Benzimidazole-proline derivatives US Patent  US11040966 Publication Date 6/22/2021 
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:
BDBM334957
Synonyms:
US11040966, Example 5.217 | US9732075, Example 5.216 | US9732075, Example 5.217 | [(S)-2-(5-Chloro-4-methyl-1H-benzoimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-(5-methyl-2-pyridin-3-yl-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C26H25ClN4O
Mol. Mass.:
444.956
SMILES:
Cc1ccc(-c2cccnc2)c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: