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Name | Orexin receptor type 1 |
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Species | Homo sapiens (Human) |
Gene | HCRTR1 |
Synonym | hypocretin receptor 1 OX1R Ox1-R OX1 receptor Ox-1-R [ Show all ] |
Disease | Insomnia Sleep disorders; Insomnia; Substance dependence Sleep disorders; Insomnia |
Length | 425 |
Amino acid sequence | MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP |
UniProt | O43613 |
Protein Data Bank | 4zjc, 4zj8 |
GPCR-HGmod model | O43613 |
3D structure model | This structure is from PDB ID 4zjc. |
BioLiP | BL0339163, BL0339164 |
Therapeutic Target Database | T73482 |
ChEMBL | CHEMBL5113 |
IUPHAR | 321 |
DrugBank | BE0005864 |
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 | SCHEMBL14877057 Orexin receptor antagonist 7 US20130102619, 29 CHEMBL3642142 BDBM97397 [ 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 | 997.0 nM | , None | BindingDB,ChEMBL |
Ki | 1105.0 nM | , None | BindingDB,ChEMBL |
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