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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	CHEMBL34327
Molecular formula	C20H22N2O2
IUPAC name	N-[2-(1-benzyl-5-methoxyindol-3-yl)ethyl]acetamide
Molecular weight	322.408
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.1
Synonyms	N-[2-(1-Benzyl-5-methoxy-1H-indole-3-yl)ethyl]acetamide
Inchi Key	NCLGVWVXAVALGO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O2/c1-15(23)21-11-10-17-14-22(13-16-6-4-3-5-7-16)20-9-8-18(24-2)12-19(17)20/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,23)
PubChem CID	10829695
ChEMBL	CHEMBL34327
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	0.07 -	PMID12672242	ChEMBL
Ki	141.25 nM	PMID12672242, PMID15943478	ChEMBL
Relative affinity	-2.93 -	PMID12672242	ChEMBL

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