Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM604067
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA) Binding Assay
Ki
3.89±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:
BDBM604067
Synonyms:
US11660293, Example 175 | US11660293, Example 177
Type:
Small organic molecule
Emp. Form.:
C25H22FN7OS
Mol. Mass.:
487.552
SMILES:
C[C@@H]1C2CC(C2)N(C1CNc1nc2ccc(F)cc2s1)C(=O)c1cc(ccc1-n1nccn1)C#N |r,wU:1.0,(.96,4.78,;-.37,4.01,;-1.71,4.78,;-3.04,4.01,;-3.04,2.47,;-1.71,3.24,;-1.71,1.7,;-.37,2.47,;.96,1.7,;2.29,2.47,;3.63,1.7,;5.03,2.32,;6.07,1.18,;7.61,1.18,;8.38,-.16,;7.61,-1.49,;8.38,-2.82,;6.07,-1.49,;5.3,-.16,;3.79,.16,;-1.71,.16,;-.37,-.61,;-3.04,-.61,;-4.37,.16,;-5.71,-.61,;-5.71,-2.15,;-4.37,-2.92,;-3.04,-2.15,;-1.71,-2.92,;-1.55,-4.46,;-.04,-4.78,;.73,-3.44,;-.3,-2.3,;-7.04,.16,;-8.38,.93,)|
Structure:
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