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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	CHEMBL3612611
Molecular formula	C14H16N2O2
IUPAC name	N-[(5-methoxyquinolin-2-yl)methyl]propanamide
Molecular weight	244.294
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.8
Synonyms	N-(5-Methoxyquinoline-2-ylmethyl)propanamide
Inchi Key	AISYFPTXAZAJEG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-8H,3,9H2,1-2H3,(H,15,17)
PubChem CID	122188354
ChEMBL	CHEMBL3612611
IUPHAR	N/A
BindingDB	50117912
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID26334942	BindingDB,ChEMBL

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