Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOrexin/Hypocretin receptor type 1
LigandBDBM401891
Substrate/Competitorn/a
Meas. Tech.FLIPR Ca2+ Flux Assay
IC50 13.8±n/a nM
Citation Liverton, NKuduk, SDBeshore, DLuo, YMeng, N Pyrazole, triazole and tetrazole orexin receptor antagonists US Patent US10010539 Publication Date 7/3/2018
More Info.:Get all data from this article,  Assay Method
 
Orexin/Hypocretin receptor type 1
Name:Orexin/Hypocretin receptor type 1
Synonyms:Hcrtr1 | Hypocretin receptor type 1 | OX1R_RAT | Orexin receptor type 1 (OX1) | Orexin receptor type 1 (OX1R) | Ox-1-R | Ox1-R | Ox1R
Type:Protein
Mol. Mass.:46817.55
Organism:Rattus norvegicus (Rat)
Description:P56718
Residue:416
Sequence:
MEPSATPGAQPGVPTSSGEPFHLPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFLIA
LVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCK
VIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAVMVPQA
AVMECSSVLPELANRTRLFSVCDERWADELYPKIYHSCFFFVTYLAPLGLMGMAYFQIFR
KLWGPQIPGTTSALVRNWKRPSEQLEAQHQGLCTEPQPRARAFLAEVKQMRARRKTAKML
MVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNF
LSGKFREQFKAAFSCCLPGLGPSSSARHKSLSLQSRCSVSKVSEHVVLTTVTTVLS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM401891
n/a
NameBDBM401891
Synonyms:2-{3-Methyl-1-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol (Example 107) | US10010539, 107
TypeSmall organic molecule
Emp. Form.C22H28N6O2
Mol. Mass.408.4967
SMILESC[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1cc(c(C)n1)C(C)(C)O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: