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Name | Orexin receptor type 2 |
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Species | Homo sapiens (Human) |
Gene | HCRTR2 |
Synonym | Ox-2-R OX2 receptor Ox2-R OX2R orexin receptor type 2 [ Show all ] |
Disease | Insomnia |
Length | 444 |
Amino acid sequence | MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW |
UniProt | O43614 |
Protein Data Bank | 5ws3, 5wqc, 4s0v, 4rnb |
GPCR-HGmod model | O43614 |
3D structure model | This structure is from PDB ID 5ws3. |
BioLiP | BL0303710, BL0398950, BL0397818, BL0302679 |
Therapeutic Target Database | T69485 |
ChEMBL | CHEMBL4792 |
IUPHAR | 322 |
DrugBank | BE0005865 |
Name | Orexin receptor antagonist, 7 |
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Molecular formula | C21H19ClN6O2 |
IUPAC name | 2-[(3R,6R)-1-[4-chloro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 422.873 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | Orexin receptor antagonist 29 SCHEMBL14877057 Orexin receptor antagonist 7 US20130102619, 29 CHEMBL3642142 [ Show all ] |
Inchi Key | WCUGLZXLNMVHNW-RHSMWYFYSA-N |
Inchi ID | InChI=1S/C21H19ClN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1 |
PubChem CID | 71526212 |
ChEMBL | CHEMBL3642142 |
IUPHAR | N/A |
BindingDB | 97397 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1.1 nM | , None | BindingDB,ChEMBL |
Ki | 1.3 nM | , None | BindingDB,ChEMBL |
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