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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	7-Azamelatonin
Molecular formula	C12H15N3O2
IUPAC name	N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
Molecular weight	233.271
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.9
Synonyms	CHEMBL137969 SCHEMBL8135627 BDBM50340330 N-[2-(5-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethyl]-acetamide N-[2-(5-Methoxy-1H-pyrrolo[2,3-b]pyridine-3-yl)ethyl]acetamide
Inchi Key	COGBYVKHQGKYBA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
PubChem CID	19703063
ChEMBL	CHEMBL137969
IUPHAR	N/A
BindingDB	50340330
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	1100.0 nM	PMID21420861	BindingDB,ChEMBL
ECmax	92.0 %	PMID21420861	ChEMBL
IC50	125.89 nM	PMID9804685	BindingDB,ChEMBL
Ki	40.0 nM	PMID26785296, PMID21420861	BindingDB,ChEMBL

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