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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 | SCHEMBL4534316 |
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Molecular formula | C20H16F7NO2 |
IUPAC name | 6-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one |
Molecular weight | 435.342 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 5.3 |
Synonyms | US9242970, 227 CHEMBL3964922 BDBM203056 |
Inchi Key | AKHRIKMRYSIIOK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H16F7NO2/c21-15-4-1-3-14(19(22,23)24)18(15)16-5-2-6-17(29)28(16)11-12-7-9-13(10-8-12)30-20(25,26)27/h1,3-4,7-10,16H,2,5-6,11H2 |
PubChem CID | 87685583 |
ChEMBL | CHEMBL3964922 |
IUPHAR | N/A |
BindingDB | 203056 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 3501.0 nM | , None | BindingDB,ChEMBL |
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