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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 | CHEMBL3922646 |
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Molecular formula | C22H15F3N4O3S |
IUPAC name | (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone |
Molecular weight | 472.442 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 5.2 |
Synonyms | US9403813, 42 BDBM240137 SCHEMBL16054959 |
Inchi Key | ALXCWDVFYSQRAO-HNNXBMFYSA-N |
Inchi ID | InChI=1S/C22H15F3N4O3S/c23-22(24,25)31-16-9-5-4-8-14(16)19-27-20(32-28-19)15-10-11-29(15)21(30)17-18(33-12-26-17)13-6-2-1-3-7-13/h1-9,12,15H,10-11H2/t15-/m0/s1 |
PubChem CID | 90422843 |
ChEMBL | CHEMBL3922646 |
IUPHAR | N/A |
BindingDB | 240137 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 400.0 nM | , None | BindingDB,ChEMBL |
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