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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	Melatonin receptor type 1A
Species	Homo sapiens (Human)
Gene	MTNR1A
Synonym	MT1 receptor MelR Mel1a receptor Mel-1A-R
Disease	Insomnia Anxiety disorder Circadian rhythm sleep disorder Major depressive disorder Sleep disorders
Length	350
Amino acid sequence	MQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV
UniProt	P48039
Protein Data Bank	N/A
GPCR-HGmod model	P48039
3D structure model	This predicted structure model is from GPCR-EXP P48039.
BioLiP	N/A
Therapeutic Target Database	T97613
ChEMBL	CHEMBL1945
IUPHAR	287
DrugBank	BE0000515

Ligand

Name	N-(2-(7-Methoxynaphth-1-yl)ethyl)propionamide
Molecular formula	C16H19NO2
IUPAC name	N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
Molecular weight	257.333
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.2
Synonyms	Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)- LS-119318 AC1MIKG5 N-[2-(7-methoxy-1-naphthyl)ethyl]propionamide CHEMBL37771 S-20242 138112-79-5 N-(2-(7-Methoxy-1-naphthalenyl)ethyl)propanamide BDBM50408556 N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide DTXSID30160469 SCHEMBL5361538 [ Show all ]
Inchi Key	AGFPIMUSQHDOJP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
PubChem CID	3071631
ChEMBL	CHEMBL37771
IUPHAR	N/A
BindingDB	50408556
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	1.995 nM	PMID9804685	ChEMBL
IC50	2.0 nM	PMID9804685	BindingDB

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