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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	CHEMBL98956
Molecular formula	C13H15BrN2O2
IUPAC name	N-[(3-bromo-6-methoxy-1H-indol-2-yl)methyl]propanamide
Molecular weight	311.179
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.3
Synonyms	N-[(3-Bromo-6-methoxy-1H-indole-2-yl)methyl]propionamide
Inchi Key	BNBJOVOLBQVUBD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15BrN2O2/c1-3-12(17)15-7-11-13(14)9-5-4-8(18-2)6-10(9)16-11/h4-6,16H,3,7H2,1-2H3,(H,15,17)
PubChem CID	11045144
ChEMBL	CHEMBL98956
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IAr	0.2 -	PMID11520198	ChEMBL
Ki	275.42 nM	PMID11520198	ChEMBL

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