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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	CHEMBL19432
Molecular formula	C14H19FN2O2
IUPAC name	1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]ethanone
Molecular weight	266.316
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.1
Synonyms	BDBM50125648 1-[4-(2-Fluoro-5-methoxy-benzyl)-piperazin-1-yl]-ethanone
Inchi Key	AUZIZCDKMWMYQU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19FN2O2/c1-11(18)17-7-5-16(6-8-17)10-12-9-13(19-2)3-4-14(12)15/h3-4,9H,5-8,10H2,1-2H3
PubChem CID	44272520
ChEMBL	CHEMBL19432
IUPHAR	N/A
BindingDB	50125648
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	<1000.0 nM	PMID12643943	BindingDB,ChEMBL

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