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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3580909
Molecular formula	C14H16N2O2
IUPAC name	2-(5-methoxy-1H-indol-3-yl)-N-prop-2-enylacetamide
Molecular weight	244.294
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.9
Synonyms	BDBM50096977 J3.583.566K N-Allyl-5-methoxy-1H-indole-3-acetamide AKOS029261781
Inchi Key	BRKWQBQNZRMYKO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)
PubChem CID	86273229
ChEMBL	CHEMBL3580909
IUPHAR	N/A
BindingDB	50096977
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	525.0 nM	PMID26023814	BindingDB,ChEMBL
Emax	64.0 %	PMID26023814	ChEMBL
Ki	17.0 nM	PMID26023814	BindingDB,ChEMBL

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