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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	CHEMBL111667
Molecular formula	C13H17NO2
IUPAC name	N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
Molecular weight	219.284
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.7
Synonyms	BDBM50072659 N-(6-Methoxy-indan-1-ylmethyl)-acetamide
Inchi Key	MLAXPUOYXLGNNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H17NO2/c1-9(15)14-8-11-4-3-10-5-6-12(16-2)7-13(10)11/h5-7,11H,3-4,8H2,1-2H3,(H,14,15)
PubChem CID	44340895
ChEMBL	CHEMBL111667
IUPHAR	N/A
BindingDB	50072659
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	25.12 nM	PMID9804685	BindingDB,ChEMBL

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