Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50060931
Substrate
n/a
Meas. Tech.
ChEMBL_1462306 (CHEMBL3395399)
Ki
3600±n/a nM
Citation
 Raheem, IT; Breslin, MJ; Bruno, J; Cabalu, TD; Cooke, A; Cox, CD; Cui, D; Garson, S; Gotter, AL; Fox, SV; Harrell, CM; Kuduk, SD; Lemaire, W; Prueksaritanont, T; Renger, JJ; Stump, C; Tannenbaum, PL; Williams, PD; Winrow, CJ; Coleman, PJ Discovery of piperidine ethers as selective orexin receptor antagonists (SORAs) inspired by filorexant. Bioorg Med Chem Lett 25:444-50 (2015) [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:
BDBM50060931
Synonyms:
CHEMBL3394835
Type:
Small organic molecule
Emp. Form.:
C25H25N5O2
Mol. Mass.:
427.4983
SMILES:
CC1CCC(CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(C)nc2ccccc12
Structure:
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