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Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50028039
Substrate
n/a
Meas. Tech.
ChEMBL_1433180 (CHEMBL3387580)
Ki
930±n/a nM
Citation
 Roecker, AJ; Reger, TS; Mattern, MC; Mercer, SP; Bergman, JM; Schreier, JD; Cube, RV; Cox, CD; Li, D; Lemaire, W; Bruno, JG; Harrell, CM; Garson, SL; Gotter, AL; Fox, SV; Stevens, J; Tannenbaum, PL; Prueksaritanont, T; Cabalu, TD; Cui, D; Stellabott, J; Hartman, GD; Young, SD; Winrow, CJ; Renger, JJ; Coleman, PJ Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. Bioorg Med Chem Lett 24:4884-90 (2014) [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:
BDBM50028039
Synonyms:
CHEMBL3338864
Type:
Small organic molecule
Emp. Form.:
C24H24N6O3
Mol. Mass.:
444.4858
SMILES:
COc1ccc(CNC(=O)c2cc(ncc2-c2cnn(C)c2)-c2cncc(C)c2)nc1OC
Structure:
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