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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Orexin receptor type 1
Species	Homo sapiens (Human)
Gene	HCRTR1
Synonym	hypocretin receptor 1 OX1R Ox1-R OX1 receptor Ox-1-R orexin receptor type 1 Hctr1 hypocretin (orexin) receptor 1 Hypocretin receptor type 1 [ 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

Ligand

Name	SCHEMBL4536986
Molecular formula	C22H24N4O3
IUPAC name	6-(2,6-dimethoxyphenyl)-1-[(6-pyrazol-1-ylpyridin-2-yl)methyl]piperidin-2-one
Molecular weight	392.459
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.4
Synonyms	1-((6-(1H-pyrazol-1-yl)pyridin-2-yl)methyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one BDBM202907 US9242970, 51 AGYMHIIXXBFDHS-UHFFFAOYSA-N CHEMBL3940216
Inchi Key	AGYMHIIXXBFDHS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O3/c1-28-18-9-5-10-19(29-2)22(18)17-8-4-12-21(27)25(17)15-16-7-3-11-20(24-16)26-14-6-13-23-26/h3,5-7,9-11,13-14,17H,4,8,12,15H2,1-2H3
PubChem CID	69082861
ChEMBL	CHEMBL3940216
IUPHAR	N/A
BindingDB	202907
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	154.0 nM	, None	BindingDB,ChEMBL

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