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Name | Orexin receptor type 2 |
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Species | Rattus norvegicus (Rat) |
Gene | Hcrtr2 |
Synonym | hypocretin receptor 2 Hypocretin receptor type 2 hypocretin (orexin) receptor 2 orexin receptor type 2 Ox-2-R [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 460 |
Amino acid sequence | MSSTKLEDSLPRRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVVIWIVSCIIMIPQAIVMERSSMLPGLANKTTLFTVCDERWGGEVYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKQPQPVSQPRGSGQQSKARISAVAAEIKQIRARRKTARMLMVVLLVFAICYLPISILNVLKRVFGMFTHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCLGVHRRQGDRLARGRTSTESRKSLTTQISNFDNVSKLSEHVALTSISTLPAANGAGPLQNWYLQQGVPSSLLSTWLEV |
UniProt | P56719 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1275216 |
IUPHAR | 322 |
DrugBank | N/A |
Name | Orexin receptor antagonist 34 |
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Molecular formula | C23H20FN5O2 |
IUPAC name | 2-[(3R,6R)-1-(4-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 417.444 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 3.1 |
Synonyms | CHEMBL3642147 US20130102619, 34 BDBM97402 SCHEMBL14877185 |
Inchi Key | DVQKBFBIBGIHAF-CRAIPNDOSA-N |
Inchi ID | InChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)19-6-4-17(24)12-20(19)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1 |
PubChem CID | 71526648 |
ChEMBL | CHEMBL3642147 |
IUPHAR | N/A |
BindingDB | 97402 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 48.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417