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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 | BDBM79952 |
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Molecular formula | C20H20N2O6 |
IUPAC name | ethyl 4-[(1-hydroxynaphthalene-2-carbonyl)oxymethyl]-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate |
Molecular weight | 384.388 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | ethyl 4-methyl-2-oxidanylidene-6-[(1-oxidanylnaphthalen-2-yl)carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate 6-[(1-hydroxy-2-naphthoyl)oxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester ethyl 6-[(1-hydroxynaphthalene-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate 6-[[(1-hydroxy-2-naphthalenyl)-oxomethoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester cid_25163569 |
Inchi Key | AERNAALFHASSPO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H20N2O6/c1-3-27-19(25)16-11(2)21-20(26)22-15(16)10-28-18(24)14-9-8-12-6-4-5-7-13(12)17(14)23/h4-9,11,16,23H,3,10H2,1-2H3,(H,21,26) |
PubChem CID | 91898290 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 79952 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1618.0 nM | N/A | BindingDB |
IC50 | 2351.0 nM | N/A | BindingDB |
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