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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	CHEMBL8004
Molecular formula	C18H20N2O2
IUPAC name	N-[4-(2,3-dihydro-1-benzofuran-4-ylamino)phenyl]butanamide
Molecular weight	296.37
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.5
Synonyms	BDBM50142212 N-[4-(2,3-Dihydro-benzofuran-4-ylamino)-phenyl]-butyramide
Inchi Key	BJAAWFITTQOGQA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O2/c1-2-4-18(21)20-14-9-7-13(8-10-14)19-16-5-3-6-17-15(16)11-12-22-17/h3,5-10,19H,2,4,11-12H2,1H3,(H,20,21)
PubChem CID	44264983
ChEMBL	CHEMBL8004
IUPHAR	N/A
BindingDB	50142212
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<500.0 nM	PMID15013015	BindingDB,ChEMBL

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