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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL139133
Molecular formula	C12H15NO4
IUPAC name	N-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]acetamide
Molecular weight	237.255
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.9
Synonyms	BDBM50408574 SCHEMBL7523679
Inchi Key	BNDIUJAGIVERMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15NO4/c1-9(14)13-5-6-15-10-3-2-4-11-12(10)17-8-7-16-11/h2-4H,5-8H2,1H3,(H,13,14)
PubChem CID	44359228
ChEMBL	CHEMBL139133
IUPHAR	N/A
BindingDB	50408574
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3162.28 nM	PMID9804685	BindingDB,ChEMBL

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