Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50060939
Substrate
n/a
Meas. Tech.
ChEMBL_1462305 (CHEMBL3395398)
Ki
0.800000±n/a nM
Citation
 Raheem, IT; Breslin, MJ; Bruno, J; Cabalu, TD; Cooke, A; Cox, CD; Cui, D; Garson, S; Gotter, AL; Fox, SV; Harrell, CM; Kuduk, SD; Lemaire, W; Prueksaritanont, T; Renger, JJ; Stump, C; Tannenbaum, PL; Williams, PD; Winrow, CJ; Coleman, PJ Discovery of piperidine ethers as selective orexin receptor antagonists (SORAs) inspired by filorexant. Bioorg Med Chem Lett 25:444-50 (2015) [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:
BDBM50060939
Synonyms:
CHEMBL3394845
Type:
Small organic molecule
Emp. Form.:
C27H24FN3O2
Mol. Mass.:
441.4968
SMILES:
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ccccn1)Oc1ccnc2c(F)cccc12 |r|
Structure:
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