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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 | CHEMBL3955752 |
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Molecular formula | C22H18F2N4O2 |
IUPAC name | [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone |
Molecular weight | 408.409 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | BDBM50203754 |
Inchi Key | HDXOKNFWVWBAOR-IBGZPJMESA-N |
Inchi ID | InChI=1S/C22H18F2N4O2/c23-22(24)9-11-27(21(29)16-5-3-10-28-14-25-12-18(16)28)13-19(22)30-20-8-7-15-4-1-2-6-17(15)26-20/h1-8,10,12,14,19H,9,11,13H2/t19-/m0/s1 |
PubChem CID | 134144954 |
ChEMBL | CHEMBL3955752 |
IUPHAR | N/A |
BindingDB | 50203754 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
K | 0.102 /s | PMID27818110 | ChEMBL |
K | 1.08 10'8/M/s | PMID27818110 | ChEMBL |
Kd | 0.94 nM | PMID27818110 | BindingDB |
Kd | 0.94 nM | PMID27818110 | ChEMBL |
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