Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOrexin/Hypocretin receptor type 1
LigandBDBM50230146
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1644403 (CHEMBL3993332)
Ki 6.2±n/a nM
Citation Nagase, HYamamoto, NYata, MOhrui, SOkada, TSaitoh, TKutsumura, NNagumo, YIrukayama-Tomobe, YIshikawa, YOgawa, YHirayama, SKuroda, DWatanabe, YGouda, HYanagisawa, M Design and Synthesis of Potent and Highly Selective Orexin 1 Receptor Antagonists with a Morphinan Skeleton and Their Pharmacologies. J Med Chem60:1018-1040 (2017) [PubMed]  Article
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_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:
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVA
LVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCK
VIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQA
AVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFR
KLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKML
MVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNF
LSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSV
TTVLP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50230146
n/a
NameBDBM50230146
Synonyms:CHEMBL4099781
TypeSmall organic molecule
Emp. Form.C32H31F3N2O7S
Mol. Mass.644.658
SMILES[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(c1)C(F)(F)F)ccc3OC |r,THB:29:9:5.4.6:13|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: