Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM604092
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA) Binding Assay
Ki
1.23±n/a nM
Citation
 Micheli, F; Bertani, B; Gibson, KR; Di Fabio, R; Raveglia, L; Zanaletti, R; Cremonesi, S; Pozzan, A; Semeraro, T; Tarsi, L; Luker, TJ Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists US Patent  US11660293 Publication Date 5/30/2023 
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:
BDBM604092
Synonyms:
US11660293, Example 210 | US11660293, Example 211
Type:
Small organic molecule
Emp. Form.:
C25H26F3N5O
Mol. Mass.:
469.502
SMILES:
C[C@@H]1C2CC(C2)N(C1CNc1ccc(cn1)C(F)(F)F)C(=O)c1nn(C)cc1-c1ccccc1 |r,wU:1.0,(-.01,5.26,;-1.34,4.49,;-2.68,5.26,;-4.01,4.49,;-4.01,2.95,;-2.68,3.72,;-2.68,2.18,;-1.34,2.95,;-.01,2.18,;1.32,2.95,;2.66,2.18,;2.66,.64,;3.99,-.13,;5.32,.64,;5.32,2.18,;3.99,2.95,;6.66,-.13,;7.99,.64,;6.66,-1.67,;7.99,-.9,;-2.68,.64,;-1.34,-.13,;-4.01,-.13,;-5.26,.78,;-6.5,-.13,;-7.99,.27,;-6.03,-1.59,;-4.49,-1.59,;-3.4,-2.68,;-1.91,-2.28,;-.82,-3.37,;-1.22,-4.86,;-2.71,-5.26,;-3.8,-4.17,)|
Structure:
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