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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	CHEMBL7567
Molecular formula	C18H20N2O2
IUPAC name	N-[4-(3-methoxy-N-methylanilino)phenyl]cyclopropanecarboxamide
Molecular weight	296.37
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM50142227 Cyclopropanecarboxylic acid {4-[(3-methoxy-phenyl)-methyl-amino]-phenyl}-amide
Inchi Key	CAJOTWJRWHHFGR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O2/c1-20(16-4-3-5-17(12-16)22-2)15-10-8-14(9-11-15)19-18(21)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,19,21)
PubChem CID	44264844
ChEMBL	CHEMBL7567
IUPHAR	N/A
BindingDB	50142227
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	12.0 nM	PMID15013015	BindingDB,ChEMBL

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