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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	CHEMBL298335
Molecular formula	C13H15N3O4
IUPAC name	N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide
Molecular weight	277.28
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.4
Synonyms	AC1N02L2 N-[2-(5-Methoxy-6-nitro-1H-indol-3-yl)-ethyl]-acetamide STK098219 DTXSID10398223 313373-75-0 Acetamide, N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]- N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide ZINC1514066 MolPort-001-736-423 BDBM50112205 N-[2-(6-Nitro-5-methoxy-1H-indole-3-yl)ethyl]acetamide CTK1B9840 [ Show all ]
Inchi Key	BCLGLBCJLIBAHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15N3O4/c1-8(17)14-4-3-9-7-15-11-6-12(16(18)19)13(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,17)
PubChem CID	3956219
ChEMBL	CHEMBL298335
IUPHAR	N/A
BindingDB	50112205
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	14.6 nM	PMID11960497	ChEMBL
Ki	15.0 nM	PMID11960497	BindingDB

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