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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	N-0889
Molecular formula	C20H22N2O
IUPAC name	N-[2-(2-benzyl-1H-indol-3-yl)ethyl]propanamide
Molecular weight	306.409
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	4.1
Synonyms	Luzindole,N-propanoyl 2-BENZYL-N-PROPIONYLTRYPTAMINE N-[2-(2-Benzyl-1H-indol-3-yl)ethyl]propionamide PDSP2_001802 N 0889 OLEHNCMFIDHEJG-UHFFFAOYSA-N CHEMBL286219 SCHEMBL9401112 BDBM85062 PDSP1_001819 [ Show all ]
Inchi Key	OLEHNCMFIDHEJG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O/c1-2-20(23)21-13-12-17-16-10-6-7-11-18(16)22-19(17)14-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,21,23)
PubChem CID	19023747
ChEMBL	CHEMBL286219
IUPHAR	N/A
BindingDB	85062
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	154.0 nM	PMID9089668	BindingDB
Ki	776.24 nM	PMID9840420	BindingDB
pRA1	-3.08 -	PMID12672242	ChEMBL

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