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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	920317-71-1
Molecular formula	C18H21NO2
IUPAC name	N-[2-(3-methoxyphenyl)-3-phenylpropyl]acetamide
Molecular weight	283.371
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.2
Synonyms	Acetamide, N-[2-(3-methoxyphenyl)-3-phenylpropyl]- CHEMBL219127 N-[2-(3-methoxyphenyl)-3-phenylpropyl]acetamide AKOS030564801 CTK3H1689 DTXSID20582414 [ Show all ]
Inchi Key	AVPVPCXCBSANDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21NO2/c1-14(20)19-13-17(11-15-7-4-3-5-8-15)16-9-6-10-18(12-16)21-2/h3-10,12,17H,11,13H2,1-2H3,(H,19,20)
PubChem CID	16094591
ChEMBL	CHEMBL219127
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	-0.23 -	PMID17149869	ChEMBL
Ki	691.83 nM	PMID17149869	ChEMBL

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