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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 | MLS001223988 |
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Molecular formula | C22H28N2O4S |
IUPAC name | N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide |
Molecular weight | 416.536 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM79931 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide cid_3228462 SMR000602332 AKOS030481864 [ Show all ] |
Inchi Key | AFLCBYWOVUOJFP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H28N2O4S/c1-4-28-20-7-9-21(10-8-20)29(26,27)24-11-5-6-18(15-24)22(25)23-19-13-16(2)12-17(3)14-19/h7-10,12-14,18H,4-6,11,15H2,1-3H3,(H,23,25) |
PubChem CID | 3228462 |
ChEMBL | CHEMBL1501952 |
IUPHAR | N/A |
BindingDB | 79931 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <49747.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 438.37 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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