Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM163879
Substrate
n/a
Meas. Tech.
ChEMBL_2075630 (CHEMBL4731164)
Ki
13±n/a nM
Citation
 Préville, C; Bonaventure, P; Koudriakova, T; Lord, B; Nepomuceno, D; Rizzolio, M; Mani, N; Coe, KJ; Ndifor, A; Dugovic, C; Dvorak, CA; Coate, H; Pippel, DJ; Fitzgerald, A; Allison, B; Lovenberg, TW; Carruthers, NI; Shireman, BT Substituted Azabicyclo[2.2.1]heptanes as Selective Orexin-1 Antagonists: Discovery of JNJ-54717793. ACS Med Chem Lett 11:2002-2009 (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:
BDBM163879
Synonyms:
US9062078, 11 | US9062078, 12A | US9062078, 12B | US9475819, 11 | US9637496, 12B | US9695183, 12B
Type:
Small organic molecule
Emp. Form.:
C23H21FN2O2S
Mol. Mass.:
408.488
SMILES:
Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Structure:
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