Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM257813
Substrate
n/a
Meas. Tech.
In Vitro Assay
Temperature
310.15±n/a K
IC50
1±n/a nM
Comments
extracted
Citation
 Bolli, M; Boss, C; Brotschi, C; Gude, M; Heidmann, B; Sifferlen, T; Williams, JT Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives US Patent  US9493446 Publication Date 11/15/2016 
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:
BDBM257813
Synonyms:
US9493446, 282
Type:
Small organic molecule
Emp. Form.:
C23H20ClFN6O4
Mol. Mass.:
498.894
SMILES:
COc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2cccc(F)c2OC)c(cc1Cl)-n1nccn1
Structure:
Search PDB for entries with ligand similarity: