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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	CHEMBL136564
Molecular formula	C15H21N3O2
IUPAC name	1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea
Molecular weight	275.352
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.8
Synonyms	BDBM50136409 SCHEMBL6584601 1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-3-ethyl-urea 1-[(3R)-1-(2,3-Dihydrobenzofuran-4-yl)-3-pyrrolidinyl]-3-ethylurea
Inchi Key	CDGKTTRAJGRLKP-LLVKDONJSA-N
Inchi ID	InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1
PubChem CID	10468642
ChEMBL	CHEMBL136564
IUPHAR	N/A
BindingDB	50136409
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	0.65 nM	PMID14643330	ChEMBL
Ki	0.65 nM	PMID14643330	BindingDB

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