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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 | CHEMBL2418838 |
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Molecular formula | C31H37N3O6 |
IUPAC name | N-[(4-acetamidophenyl)methyl]-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide |
Molecular weight | 547.652 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | N/A |
Inchi Key | AKKUAZDWKPTRTD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H37N3O6/c1-20(35)33-24-9-6-21(7-10-24)18-32-31(36)19-34-13-12-23-16-29(39-4)30(40-5)17-25(23)26(34)14-22-8-11-27(37-2)28(15-22)38-3/h6-11,15-17,26H,12-14,18-19H2,1-5H3,(H,32,36)(H,33,35) |
PubChem CID | 73293748 |
ChEMBL | CHEMBL2418838 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ke(app) | <10000.0 nM | PMID23941044 | ChEMBL |
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