Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM341140
Substrate
n/a
Meas. Tech.
FLIPR Ca2+ Flux Assay
IC50
1026±n/a nM
Citation
 Kuduk, SD; Skudlarek, JW 3-ester-4 substituted orexin receptor antagonists US Patent  US9765057 Publication Date 9/19/2017 
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:
BDBM341140
Synonyms:
US9765057, 7 | methyl 2-({(3R,6R)-1-[(3-fluoro-2- pyrimidin-2-ylphenyl)carbonyl]-6- methylpiperidin-3-yl}oxy)-4- (methylsulfanyl)pyridine-3- carboxylate
Type:
Small organic molecule
Emp. Form.:
C25H25FN4O4S
Mol. Mass.:
496.554
SMILES:
COC(=O)c1c(SC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-c1ncccn1
Structure:
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