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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	CHEMBL524440
Molecular formula	C20H26N2O4S
IUPAC name	N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
Molecular weight	390.498
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	BDBM50293205 SR-01000497804 EU-0012271 ZINC6728311 N,N-diethyl-2-(4-methoxy-N-p-tolylphenylsulfonamido)acetamide SR-01000497804-1 MCULE-1689567511 AKOS000385001 N,N-diethyl-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(4-methylphenyl)glycinamide STL222606 MolPort-006-783-350 [ Show all ]
Inchi Key	AIXCMUNOUXBXJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N2O4S/c1-5-21(6-2)20(23)15-22(17-9-7-16(3)8-10-17)27(24,25)19-13-11-18(26-4)12-14-19/h7-14H,5-6,15H2,1-4H3
PubChem CID	15993497
ChEMBL	CHEMBL524440
IUPHAR	N/A
BindingDB	50293205
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	<10000.0 nM	PMID18845436	BindingDB,ChEMBL

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