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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 | CHEMBL3741194 |
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Molecular formula | C25H26N2O5S |
IUPAC name | [5-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]methanone |
Molecular weight | 466.552 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 5.1 |
Synonyms | N/A |
Inchi Key | YGELRKYVOFQALB-SFHVURJKSA-N |
Inchi ID | InChI=1S/C25H26N2O5S/c1-15-26-23(24(33-15)17-7-9-20-22(13-17)32-14-31-20)25(28)27-10-4-5-18(27)11-16-6-8-19(29-2)21(12-16)30-3/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3/t18-/m0/s1 |
PubChem CID | 127038821 |
ChEMBL | CHEMBL3741194 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 11.0 nM | MedChemComm, (2015) 6:6:1054 | ChEMBL |
Kb | 5.3 nM | MedChemComm, (2015) 6:6:1054 | ChEMBL |
T1/2 | 0.01833 hr | MedChemComm, (2015) 6:6:1054 | ChEMBL |
TIME | 0.08333 hr | MedChemComm, (2015) 6:6:1054 | ChEMBL |
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