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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	Orexin receptor antagonist 3
Molecular formula	C22H21N5O3
IUPAC name	2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight	403.442
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.3
Synonyms	SCHEMBL14876708 CHEMBL3426149 US20130102619, 3 BDBM97408
Inchi Key	DZHWCPHUSBPNJT-RHSMWYFYSA-N
Inchi ID	InChI=1S/C22H21N5O3/c1-14-7-8-17(29-20-11-16(12-23)9-10-24-20)13-27(14)22(28)19-6-4-3-5-18(19)21-25-15(2)30-26-21/h3-6,9-11,14,17H,7-8,13H2,1-2H3/t14-,17-/m1/s1
PubChem CID	71526208
ChEMBL	CHEMBL3426149
IUPHAR	N/A
BindingDB	97408
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	8400.0 nM	PMID25981685	BindingDB,ChEMBL
Ki	1655.0 nM	, None	BindingDB,ChEMBL

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