Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50592792
Substrate
n/a
Meas. Tech.
ChEMBL_2205644 (CHEMBL5118352)
Ki
18±n/a nM
Citation
 Saitoh, T; Amezawa, M; Horiuchi, J; Nagumo, Y; Yamamoto, N; Kutsumura, N; Ohshita, R; Tokuda, A; Irukayama-Tomobe, Y; Ogawa, Y; Ishikawa, Y; Hasegawa, E; Sakurai, T; Uchida, Y; Sato, T; Gouda, H; Tanimura, R; Yanagisawa, M; Nagase, H Discovery of novel orexin receptor antagonists using a 1,3,5-trioxazatriquinane bearing multiple effective residues (TriMER) library. Eur J Med Chem 240:0 (2022) [PubMed] 
Target
Name:
Orexin/Hypocretin receptor type 1
Synonyms:
HCRTR1 | Hypocretin receptor type 1 | OX1R_HUMAN | Orexin receptor type 1 | Orexin receptor type 1 (OR 1) | Orexin receptor type 1 (OR-1) | Orexin receptor type 1 (OX1) | Orexin receptor type 1 (OX1R) | Orexin receptor type 1 (OxR1) | Ox1r
Type:
Protein
Mol. Mass.:
47554.50
Organism:
Homo sapiens (Human)
Description:
O43613
Residue:
425
Sequence:
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
  
Inhibitor
Name:
BDBM50592792
Synonyms:
CHEMBL5203737
Type:
Small organic molecule
Emp. Form.:
C35H33N3O6
Mol. Mass.:
591.653
SMILES:
[H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1cccc(NC(=O)c3ccccc3OC)c1)[C@@](C)(O2)c1cccc(NC(=O)c2ccccc2)c1 |r|
Structure:
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