Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50321510
Substrate
n/a
Meas. Tech.
ChEMBL_639601 (CHEMBL1175134)
Ki
0.6±n/a nM
Citation
 Coleman, PJ; Schreier, JD; Roecker, AJ; Mercer, SP; McGaughey, GB; Cox, CD; Hartman, GD; Harrell, CM; Reiss, DR; Doran, SM; Garson, SL; Anderson, WB; Tang, C; Prueksaritanont, T; Winrow, CJ; Renger, JJ Discovery of 3,9-diazabicyclo[4.2.1]nonanes as potent dual orexin receptor antagonists with sleep-promoting activity in the rat. Bioorg Med Chem Lett 20:4201-5 (2010) [PubMed]  Article 
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:
BDBM50321510
Synonyms:
(3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2.1]nonan-9-yl) (5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone | (3-(7-fluoroquinazolin-2-yl)-3,9-diazabicyclo[4.2.1]nonan-9-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone | CHEMBL1171594
Type:
Small organic molecule
Emp. Form.:
C25H24FN7O
Mol. Mass.:
457.5028
SMILES:
Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1
Structure:
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