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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	CHEMBL136531
Molecular formula	C16H22N2O2
IUPAC name	N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]butanamide
Molecular weight	274.364
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.4
Synonyms	BDBM50136402 N-[(3S)-1-(2,3-Dihydrobenzofuran-4-yl)-3-pyrrolidinyl]butanamide N-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-butyramide SCHEMBL6584731
Inchi Key	AUJCIORXQAONNC-LBPRGKRZSA-N
Inchi ID	InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
PubChem CID	44358146
ChEMBL	CHEMBL136531
IUPHAR	N/A
BindingDB	50136402
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	0.14 nM	PMID14643330	BindingDB
Ki	0.14 nM	PMID14643330	ChEMBL

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