Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM504318
Substrate
n/a
Meas. Tech.
In Vitro Assay
IC50
1500±n/a nM
Citation
 Boss, C; Brotschi, C; Gude, M; Heidmann, B; Sifferlen, T; Williams, J Benzimidazole-proline derivatives US Patent  US11040966 Publication Date 6/22/2021 
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:
BDBM504318
Synonyms:
(5-Methyl-2-[1,2,3]triazol-2-yl-phenyl)-[(S)-2-(4-nitro-1H-benzoimidazol-2-yl)-pyrrolidin-1-yl]-methanone | US11040966, Example 1.1
Type:
Small organic molecule
Emp. Form.:
C21H19N7O3
Mol. Mass.:
417.4207
SMILES:
Cc1ccc(c(c1)C(=O)N1CCC[C@H]1c1nc2c(cccc2[nH]1)[N+]([O-])=O)-n1nccn1
Structure:
Search PDB for entries with ligand similarity: