Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50233305
Substrate
n/a
Meas. Tech.
ChEBML_1650595
IC50
5020±n/a nM
Citation
 Wu, S; Sun, Y; Hu, Y; Zhang, H; Hou, L; Liu, X; Li, Y; He, H; Luo, Z; Chen, Y; Wang, Y; Shi, W; Shen, L; Cao, C; Liang, W; Xu, Q; Lv, Q; Lan, J; Li, J; Chen, S Discovery of novel substituted octahydropyrrolo[3,4-c]pyrroles as dual orexin receptor antagonists for insomnia treatment. Bioorg Med Chem Lett 27:1458-1462 (2017) [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:
BDBM50233305
Synonyms:
CHEMBL4069949
Type:
Small organic molecule
Emp. Form.:
C23H18ClF3N6O2
Mol. Mass.:
502.876
SMILES:
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(ccc1-n1nccn1)C(F)(F)F |r|
Structure:
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