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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	CHEMBL124783
Molecular formula	C16H22N2O2
IUPAC name	N-[3-(2-propyl-1,3-benzoxazol-7-yl)propyl]propanamide
Molecular weight	274.364
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50149159 N-[3-(2-Propyl-benzooxazol-7-yl)-propyl]-propionamide SCHEMBL6780772
Inchi Key	BMCYPJHTYPAAIJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22N2O2/c1-3-7-15-18-13-10-5-8-12(16(13)20-15)9-6-11-17-14(19)4-2/h5,8,10H,3-4,6-7,9,11H2,1-2H3,(H,17,19)
PubChem CID	22718661
ChEMBL	CHEMBL124783
IUPHAR	N/A
BindingDB	50149159
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	51.0 nM	PMID15203165	BindingDB,ChEMBL

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