Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM163916
Substrate
n/a
Meas. Tech.
ChEMBL_2075630 (CHEMBL4731164)
Ki
420±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:
BDBM163916
Synonyms:
US9062078, 47 | US9475819, 47 | US9637496, 47 | US9695183, 47
Type:
Small organic molecule
Emp. Form.:
C22H21F3N6O2
Mol. Mass.:
458.4363
SMILES:
Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(cn1)C(F)(F)F)C2)-n1nccn1 |TLB:15:14:12.11:9|
Structure:
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