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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.
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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	CHEMBL10328
Molecular formula	C21H22N2O
IUPAC name	N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide
Molecular weight	318.42
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50086010 N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)-ethyl]-butyramide N-[2-(6H-Isoindolo[2,1-a]indole-11-yl)ethyl]butanamide
Inchi Key	BQCYDDRANOAMHI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22N2O/c1-2-7-20(24)22-13-12-18-17-10-5-6-11-19(17)23-14-15-8-3-4-9-16(15)21(18)23/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)
PubChem CID	10591657
ChEMBL	CHEMBL10328
IUPHAR	N/A
BindingDB	50086010
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	174.0 nM	PMID10737738	BindingDB,ChEMBL

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