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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	CHEMBL1097496
Molecular formula	C30H34N2O5
IUPAC name	N-[2-[7-[4-[[3-(2-acetamidoethyl)-1-benzofuran-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
Molecular weight	502.611
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.1
Synonyms	SCHEMBL7014411 BDBM50316702 N-[2-(7-{4-[3-(2-acetylaminoethyl)benzofuran-5-yloxy]butoxy}naphthalen-1-yl)ethyl]-acetamide
Inchi Key	BIXNYPIXYPNFDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H34N2O5/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)
PubChem CID	9870683
ChEMBL	CHEMBL1097496
IUPHAR	N/A
BindingDB	50316702
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2.49 nM	PMID20444610	ChEMBL
EC50	2.5 nM	PMID20444610	BindingDB
Emax	78.5 %	PMID20444610	ChEMBL
Imax	42.5 %	PMID20444610	ChEMBL
Kb	27.5 nM	PMID20444610	ChEMBL
Ki	1.38 nM	PMID20444610	ChEMBL
Ki	1.4 nM	PMID20444610	BindingDB

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