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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	N-ACETYL-6-METHOXYTRYPTAMINE
Molecular formula	C13H16N2O2
IUPAC name	N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight	232.283
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.6
Synonyms	A-1474 Melatonin,6-Methoxy ZINC2130542 AKOS003603782 N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide 22375-73-1 CHEMBL33099 Oprea1_560528 AC1LWV16 BDBM50066958 N-[2-(6-Methoxy-1H-indole-3-yl)ethyl]acetamide CTK4E9330 SCHEMBL4490583 Acetamide,N-[2-(6-methoxy-1H-indol-3-yl)ethyl]- N-[2-(6-Methoxy-1H-indol-3-yl)-ethyl]-acetamide NJYPALQXNVNJOH-UHFFFAOYSA-N [ Show all ]
Inchi Key	NJYPALQXNVNJOH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-7-11(17-2)3-4-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
PubChem CID	1785786
ChEMBL	CHEMBL33099
IUPHAR	N/A
BindingDB	50066958
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	0.74 -	PMID12672242	ChEMBL
Ki	207.0 nM	PMID9089668	BindingDB

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