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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 | SMR000010089 |
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Molecular formula | C20H20N2O3 |
IUPAC name | 3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide |
Molecular weight | 336.391 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | 3-methyl-N-[4-(4-morpholinyl)phenyl]-2-benzofurancarboxamide Oprea1_194113 F3273-0636 3-methyl-N-(4-morpholinophenyl)benzofuran-2-carboxamide BAS 01135030 [ Show all ] |
Inchi Key | AELDAMOGYZQRRC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H20N2O3/c1-14-17-4-2-3-5-18(17)25-19(14)20(23)21-15-6-8-16(9-7-15)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3,(H,21,23) |
PubChem CID | 647689 |
ChEMBL | CHEMBL1416951 |
IUPHAR | N/A |
BindingDB | 79793 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 276.96 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 1457.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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