You can:
Name | Orexin receptor type 1 |
---|---|
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 | CHEMBL3893150 |
---|---|
Molecular formula | C22H20FN7O3 |
IUPAC name | [2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazinan-3-yl]-[6-methyl-3-(triazol-2-yl)pyridin-2-yl]methanone |
Molecular weight | 449.446 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 3.1 |
Synonyms | US9266870, 38 BDBM208522 SCHEMBL16648847 |
Inchi Key | ABQUTJKCXJRSSO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20FN7O3/c1-14-3-8-17(30-24-9-10-25-30)20(26-14)22(31)29-11-2-12-32-19(29)13-18-27-21(33-28-18)15-4-6-16(23)7-5-15/h3-10,19H,2,11-13H2,1H3 |
PubChem CID | 72704197 |
ChEMBL | CHEMBL3893150 |
IUPHAR | N/A |
BindingDB | 208522 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2.1 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218