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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	CHEMBL1760954
Molecular formula	C14H20N4O2
IUPAC name	N-[2-[6-methoxy-3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
Molecular weight	276.34
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.2
Synonyms	BDBM50340334 N-(2-(6-methoxy-3-((methylamino)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide
Inchi Key	BNECBUSPJTTYQW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N4O2/c1-10(19)16-6-7-18-9-11(8-15-2)12-4-5-13(20-3)17-14(12)18/h4-5,9,15H,6-8H2,1-3H3,(H,16,19)
PubChem CID	54583162
ChEMBL	CHEMBL1760954
IUPHAR	N/A
BindingDB	50340334
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	8295.0 nM	PMID21420861	BindingDB,ChEMBL

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