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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 | SCHEMBL1672410 |
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Molecular formula | C22H26N4O3 |
IUPAC name | 3,4-dihydro-2H-1,5-benzodioxepin-6-yl-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone |
Molecular weight | 394.475 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | US8653263, 334 CHEMBL3639513 BDBM118681 |
Inchi Key | AEZSHLMXEAFMHO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26N4O3/c1-14-9-15(2)24-22(23-14)26-12-16-10-25(11-17(16)13-26)21(27)18-5-3-6-19-20(18)29-8-4-7-28-19/h3,5-6,9,16-17H,4,7-8,10-13H2,1-2H3 |
PubChem CID | 67116893 |
ChEMBL | CHEMBL3639513 |
IUPHAR | N/A |
BindingDB | 118681 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 10000.0 nM | , None | BindingDB,ChEMBL |
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