Reaction Details  Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50543831
Substrate
n/a
Meas. Tech.
ChEMBL_1990293 (CHEMBL4624028)
IC50
4.0±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:
BDBM50543831
Synonyms:
CHEMBL4637497
Type:
Small organic molecule
Emp. Form.:
C23H22FN7O2
Mol. Mass.:
447.4649
SMILES:
Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cc1cnn(c1)-c1ccc(F)cn1)-n1nccn1 |r|
Structure:
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