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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	CHEMBL139418
Molecular formula	C18H17NO4
IUPAC name	N-[(6-methoxy-2-phenyl-1,4-benzodioxin-3-yl)methyl]acetamide
Molecular weight	311.337
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.4
Synonyms	n-[(7-methoxy-3-phenyl-1,4-benzodioxin-2-yl)methyl]acetamide SCHEMBL7198597 BDBM50408568 BTIYDRLBOALGSI-UHFFFAOYSA-N
Inchi Key	BTIYDRLBOALGSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17NO4/c1-12(20)19-11-17-18(13-6-4-3-5-7-13)23-15-9-8-14(21-2)10-16(15)22-17/h3-10H,11H2,1-2H3,(H,19,20)
PubChem CID	15372705
ChEMBL	CHEMBL139418
IUPHAR	N/A
BindingDB	50408568
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	10000.0 nM	PMID9804685	BindingDB,ChEMBL

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