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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.
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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	CHEMBL139627
Molecular formula	C19H21NO3
IUPAC name	N-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
Molecular weight	311.381
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	SCHEMBL8610833 ZINC13781830 BDBM50408652
Inchi Key	AGJNRNIEUYRJMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO3/c1-12(21)20-8-7-15-10-16(19(22)13-3-4-13)9-14-5-6-17(23-2)11-18(14)15/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,20,21)
PubChem CID	23360817
ChEMBL	CHEMBL139627
IUPHAR	N/A
BindingDB	50408652
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	39.81 nM	PMID9804685	BindingDB,ChEMBL

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