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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 | CHEMBL3741474 |
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Molecular formula | C22H19F2N3O6S |
IUPAC name | 4-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-(5,6-dimethoxypyridin-3-yl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one |
Molecular weight | 491.466 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 2.9 |
Synonyms | 4-(2,6-difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide AIZXGTQGJBGNNH-UHFFFAOYSA-N SCHEMBL15556403 |
Inchi Key | AIZXGTQGJBGNNH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H19F2N3O6S/c1-31-14-9-16(23)15(17(24)10-14)12-26-18-6-4-5-7-20(18)34(29,30)27(22(26)28)13-8-19(32-2)21(33-3)25-11-13/h4-11H,12H2,1-3H3 |
PubChem CID | 72722089 |
ChEMBL | CHEMBL3741474 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2.512 nM | MedChemComm, (2015) 6:5:947 | ChEMBL |
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