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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	MLS001177268
Molecular formula	C22H22N2O3
IUPAC name	2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
Molecular weight	362.429
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.6
Synonyms	HMS2888G22 MolPort-004-153-666 2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)acetamide AKOS033940326 Z25385150 2-(3-acetamidophenoxy)-N-[1-(2-naphthyl)ethyl]acetamide CHEMBL1534057 MCULE-4253704438 878215-98-6 REGID_for_CID_16338637 2-(3-acetamidophenoxy)-N-(1-naphthalen-2-ylethyl)ethanamide BDBM79920 2-(3-acetamidophenoxy)-N-[1-(naphthalen-2-yl)ethyl]acetamide cid_16338637 AB00747880-01 SMR000592055 2-(3-acetamidophenoxy)-N-[1-(2-naphthalenyl)ethyl]acetamide [ Show all ]
Inchi Key	ABSPCBSIRGQAKA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N2O3/c1-15(18-11-10-17-6-3-4-7-19(17)12-18)23-22(26)14-27-21-9-5-8-20(13-21)24-16(2)25/h3-13,15H,14H2,1-2H3,(H,23,26)(H,24,25)
PubChem CID	16338637
ChEMBL	CHEMBL1534057
IUPHAR	N/A
BindingDB	79920
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	622.97 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	9009.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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