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GLASS

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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	N-(2-(7-Methoxynaphth-1-yl)ethyl)pyrrolidin-2-one
Molecular formula	C17H19NO2
IUPAC name	1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one
Molecular weight	269.344
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.0
Synonyms	1-[2-(7-Methoxynaphthalene-1-yl)ethyl]pyrrolidine-2-one LS-138875 N-[2-(7-methoxynaphth-1-yl)ethyl]pyrrolidin-2-one 1-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-pyrrolidin-2-one ZINC13738647 138112-83-1 AC1MIKGD SCHEMBL5929492 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one CHEMBL111558 2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)- N-[2-(7-METHOXYNAPHTH-1-YL)ETHYL]-PYRROLIDIN-2-ONE 1-(2-(7-Methoxy-1-naphthalenyl)ethyl)-2-pyrrolidinone BDBM50037220 WVCJRSXAPLOQKL-UHFFFAOYSA-N [ Show all ]
Inchi Key	WVCJRSXAPLOQKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3
PubChem CID	3071635
ChEMBL	CHEMBL111558
IUPHAR	N/A
BindingDB	50037220
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	100.0 nM	PMID9804685	BindingDB,ChEMBL

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