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 | CHEMBL3691806 |
---|---|
Molecular formula | C20H17F3N6O2 |
IUPAC name | [2-(triazol-2-yl)phenyl]-[6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone |
Molecular weight | 430.391 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | US8969352, 1 BDBM143742 SCHEMBL16045063 |
Inchi Key | CWZJPIYFFDDMCP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H17F3N6O2/c21-20(22,23)17-9-25-18(10-24-17)31-16-8-12-7-15(16)28(11-12)19(30)13-3-1-2-4-14(13)29-26-5-6-27-29/h1-6,9-10,12,15-16H,7-8,11H2 |
PubChem CID | 86271691 |
ChEMBL | CHEMBL3691806 |
IUPHAR | N/A |
BindingDB | 143742 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 120.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417