Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50092814
Substrate
n/a
Meas. Tech.
ChEMBL_1501723 (CHEMBL3587703)
Ki
10.0±n/a nM
Citation
 Letavic, MA; Bonaventure, P; Carruthers, NI; Dugovic, C; Koudriakova, T; Lord, B; Lovenberg, TW; Ly, KS; Mani, NS; Nepomuceno, D; Pippel, DJ; Rizzolio, M; Shelton, JE; Shah, CR; Shireman, BT; Young, LK; Yun, S Novel Octahydropyrrolo[3,4-c]pyrroles Are Selective Orexin-2 Antagonists: SAR Leading to a Clinical Candidate. J Med Chem 58:5620-36 (2015) [PubMed]  Article 
Target
Name:
Orexin receptor type 2
Synonyms:
Hcrtr2 | Hypocretin receptor type 2 | OX2R_RAT | Orexin receptor 2 | Orexin receptor type 2 (OX2) | Orexin receptor type 2 (OX2R) | Ox-2-R | Ox2-R | Ox2R
Type:
Protein
Mol. Mass.:
52508.46
Organism:
Rattus norvegicus (Rat)
Description:
P56719
Residue:
460
Sequence:
MSSTKLEDSLPRRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVVIWIVSCIIMIPQAIVMERSSMLPGLANKTTLFTVCDERWGGEVYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKQPQPVSQPRGSGQQSKARISAVAAEIKQIRARRKTARMLMVVLLVFAICYLPISILNVLKRVFGMFTHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCLGVHRRQGDRLARGRTSTESRKSLTTQISNFDNVSKLSEHVALTSISTLPAANGAGPLQNWYLQQGVPSSLLSTWLEV
  
Inhibitor
Name:
BDBM50092814
Synonyms:
CHEMBL3586436
Type:
Small organic molecule
Emp. Form.:
C21H22FN7O
Mol. Mass.:
407.4441
SMILES:
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r|
Structure:
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