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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	BRN 1379764
Molecular formula	C13H15NO2S
IUPAC name	N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
Molecular weight	249.328
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	Acetamide,N-[2-(5-methoxybenzo[b]thien-3-yl)ethyl]- LS-9818 N-[2-(5-Methoxy-benzo[b]thiophen-3-yl)-ethyl]-acetamide AC1L1R8C CTK4G1472 AKOS030565922 N-(2-(5-Methoxybenzo(b)thien-3-yl)ethyl)acetamide 28462-87-5 SCHEMBL7024784 ACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)- DTXSID10182664 BDBM50037219 N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide CHEMBL109235 ZINC2011990 [ Show all ]
Inchi Key	AXMIJKLYRBIWJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15NO2S/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
PubChem CID	34247
ChEMBL	CHEMBL109235
IUPHAR	N/A
BindingDB	50037219
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	1.259 nM	PMID9804685	ChEMBL
IC50	1.26 nM	PMID9804685	BindingDB

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