Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50000984
Substrate
n/a
Meas. Tech.
ChEMBL_1337233 (CHEMBL3240641)
Ki
0.560000±n/a nM
Citation
 Kuduk, SD; Skudlarek, JW; Di Marco, CN; Bruno, JG; Pausch, MA; O'Brien, JA; Cabalu, TD; Stevens, J; Brunner, J; Tannenbaum, PL; Gotter, AL; Winrow, CJ; Renger, JJ; Coleman, PJ Synthesis and evaluation of carbon-linked analogs of dual orexin receptor antagonist filorexant. Bioorg Med Chem Lett 24:1784-9 (2014) [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:
BDBM50000984
Synonyms:
CHEMBL3235265
Type:
Small organic molecule
Emp. Form.:
C25H26N4O2
Mol. Mass.:
414.4995
SMILES:
C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1cccc(CO)c1 |r|
Structure:
Search PDB for entries with ligand similarity: