Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM205106
Substrate
n/a
Meas. Tech.
ChEBML_1650584
Ki
519±n/a nM
Citation
 Skudlarek, JW; DiMarco, CN; Babaoglu, K; Roecker, AJ; Bruno, JG; Pausch, MA; O'Brien, JA; Cabalu, TD; Stevens, J; Brunner, J; Tannenbaum, PL; Wuelfing, WP; Garson, SL; Fox, SV; Savitz, AT; Harrell, CM; Gotter, AL; Winrow, CJ; Renger, JJ; Kuduk, SD; Coleman, PJ Investigation of orexin-2 selective receptor antagonists: Structural modifications resulting in dual orexin receptor antagonists. Bioorg Med Chem Lett 27:1364-1370 (2017) [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:
BDBM205106
Synonyms:
2-({(3r,6r)-1-[(2- cyclopropylphenyl)carbonyl]- 6-methylpiperidin-3-yl}oxy)-3- methylpyridine-4-carbonitrile | US9546152, example 16
Type:
Small organic molecule
Emp. Form.:
C23H25N3O2
Mol. Mass.:
375.4635
SMILES:
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1)Oc1nccc(C#N)c1C |r|
Structure:
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