Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM335342
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
5.00±n/a nM
Citation
 Boss, C; Brotschi, C; Gude, M; Heidmann, B; Sifferlen, T; Williams, J Benzimidazole-proline derivatives US Patent  US9732075 Publication Date 8/15/2017 
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:
BDBM335342
Synonyms:
(S)-(5-(3-chlorophenyl)-2-methylthiazol-4-yl)(2-(1-ethyl-4-methyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidin-1-yl)methanone and/or (S)-(5-(3-chlorophenyl)-2-methylthiazol-4-yl)(2-(1-ethyl-7-methyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidin-1-yl)methanone (mixture of isomers) | US11040966, Example 7.6 | US9732075, Example 7.6
Type:
Small organic molecule
Emp. Form.:
C26H27ClN4OS
Mol. Mass.:
479.037
SMILES:
CCn1c(nc2c(C)cccc12)[C@]1(C)CCCN1C(=O)c1nc(C)sc1-c1cccc(Cl)c1
Structure:
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