Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50561434
Substrate
n/a
Meas. Tech.
ChEMBL_2074965 (CHEMBL4730499)
Ki
7762±n/a nM
Citation
 Gunera, J; Baker, JG; van Hilten, N; Rosenbaum, DM; Kolb, P Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor. J Med Chem 63:11045-11053 (2020) [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:
BDBM50561434
Synonyms:
CHEMBL4763441
Type:
Small organic molecule
Emp. Form.:
C25H25NO4
Mol. Mass.:
403.4703
SMILES:
[H][C@]12CC=C[C@@H](C)[C@]1([H])C(=O)N(C2=O)c1cccc(O[C@@H](C)C(=O)c2ccc(C)cc2)c1 |r,c:3|
Structure:
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