Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM404330
Substrate
n/a
Meas. Tech.
FLIPR Ca2+ Flux Assay
IC50
>10000±n/a nM
Citation
 Liverton, N; Kuduk, SD; Beshore, D; Luo, Y; Meng, N; Yu, T Piperidine isoxazole and isothiazole orexin receptor antagonists US Patent  US10017504 Publication Date 7/10/2018 
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:
BDBM404330
Synonyms:
2-{3-[(3R,6R)-1-{[4-Fluoro-2-(2H-1,2,3- triazol-2-yl)phenyl]carbonyl}-6- methylpiperidin-3-yl]isothiazol-5-yl} propan-2-ol | US10017504, 61
Type:
Small organic molecule
Emp. Form.:
C21H24FN5O2S
Mol. Mass.:
429.511
SMILES:
C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1cc(sn1)C(C)(C)O
Structure:
Search PDB for entries with ligand similarity: