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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 2 |
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Molecular formula | C23H21N5O2 |
IUPAC name | 2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 399.454 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.0 |
Synonyms | US20130102619, 2 CHEMBL3426150 SB19098 BDBM97407 MK-8133 [ Show all ] |
Inchi Key | MMRBNOXAAQLWLU-SJLPKXTDSA-N |
Inchi ID | InChI=1S/C23H21N5O2/c1-16-7-8-18(30-21-13-17(14-24)9-12-25-21)15-28(16)23(29)20-6-3-2-5-19(20)22-26-10-4-11-27-22/h2-6,9-13,16,18H,7-8,15H2,1H3/t16-,18-/m1/s1 |
PubChem CID | 71526207 |
ChEMBL | CHEMBL3426150 |
IUPHAR | N/A |
BindingDB | 97407 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 28.0 nM | PMID25981685 | BindingDB,ChEMBL |
Ki | 1.3 nM | , None | BindingDB,ChEMBL |
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