Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM357852
Substrate
n/a
Meas. Tech.
FLIPR Ca2+ Flux Assay
IC50
10000±n/a nM
Citation
 Kuduk, SD; Liverton, N; Luo, Y Hydroxmethyl piperidine orexin receptor antagonists US Patent  US10214535 Publication Date 2/26/2019 
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:
BDBM357852
Synonyms:
2-{[(3R,6S)-6-(hydroxymethyl)- 1-{[2-(1-methylethoxy)pyridin- 3-yl]carbonyl}piperidin-3-yl] oxy}-3-methoxypyridine- 4-carbonitrile | US10214535, Example 12
Type:
Small organic molecule
Emp. Form.:
C22H26N4O5
Mol. Mass.:
426.4656
SMILES:
COc1c(O[C@@H]2CC[C@@H](CO)N(C2)C(=O)c2cccnc2OC(C)C)nccc1C#N |r|
Structure:
Search PDB for entries with ligand similarity: