Reaction Details  Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50543838
Substrate
n/a
Meas. Tech.
ChEMBL_1990293 (CHEMBL4624028)
IC50
3.8±n/a nM
Citation
 Futamura, A; Suzuki, R; Tamura, Y; Kawamoto, H; Ohmichi, M; Hino, N; Tokumaru, Y; Kirinuki, S; Hiyoshi, T; Aoki, T; Kambe, D; Nozawa, D Discovery of ORN0829, a potent dual orexin 1/2 receptor antagonist for the treatment of insomnia. Bioorg Med Chem 28:0 (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:
BDBM50543838
Synonyms:
CHEMBL4633158
Type:
Small organic molecule
Emp. Form.:
C22H20FN7O2
Mol. Mass.:
433.4383
SMILES:
Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2ccccc2-n2nccn2)n1 |r|
Structure:
Search PDB for entries with ligand similarity: