Reaction Details  Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50314680
Substrate
n/a
Meas. Tech.
ChEMBL_625832 (CHEMBL1109768)
IC50
3700±n/a nM
Citation
 Coleman, PJ; Schreier, JD; McGaughey, GB; Bogusky, MJ; Cox, CD; Hartman, GD; Ball, RG; Harrell, CM; Reiss, DR; Prueksaritanont, T; Winrow, CJ; Renger, JJ Design and synthesis of conformationally constrained N,N-disubstituted 1,4-diazepanes as potent orexin receptor antagonists. Bioorg Med Chem Lett 20:2311-5 (2010) [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:
BDBM50314680
Synonyms:
(2-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2.1]octan-6-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone | CHEMBL1093724
Type:
Small organic molecule
Emp. Form.:
C24H22FN7O
Mol. Mass.:
443.4762
SMILES:
Cc1ccc(c(c1)C(=O)N1CC2CC1CCN2c1ncc2cc(F)ccc2n1)-n1nccn1
Structure:
Search PDB for entries with ligand similarity: