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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 20 |
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Molecular formula | C22H24N4O3 |
IUPAC name | 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 392.459 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | CHEMBL3642133 US20130102619, 20 BDBM97388 SCHEMBL14876831 |
Inchi Key | PYKHPQALSQAILK-RHSMWYFYSA-N |
Inchi ID | InChI=1S/C22H24N4O3/c1-14-3-6-17(29-20-11-15(12-23)9-10-24-20)13-26(14)22(27)18-7-8-19(28-2)25-21(18)16-4-5-16/h7-11,14,16-17H,3-6,13H2,1-2H3/t14-,17-/m1/s1 |
PubChem CID | 71526475 |
ChEMBL | CHEMBL3642133 |
IUPHAR | N/A |
BindingDB | 97388 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 12630.0 nM | , None | BindingDB,ChEMBL |
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