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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Melatonin receptor type 1B
Species	Gallus gallus (Chicken)
Gene
Synonym	Mel-1B-R Mel1b receptor
Disease	N/A for non-human GPCRs
Length	289
Amino acid sequence	GNAFVVSLALADLVVALYPYPLVLLAIFHNGWTLGEMHCKVSGFVMGLSVIGSIFNITAIAINRYCYICHSFAYDKVYSCWNTMLYVSLIWVLTVIATVPNFFVGSLKYDPRIYSCTFVQTASSYYTIAVVVIHFIVPITVVSFCYLRIWVLVLQVRRRVKSETKPRLKPSDFRNFLTMFVVFVIFAFCWAPLNFIGLAVAINPSEMAPKVPEWLFIISYFMAYFNSCLNAIIYGLLNQNFRNEYKRILMSLWMPRLFFQDTSKGGTDGQKSKPSPALNNNDQMKTDTL
UniProt	P51050
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4466
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	N-(2-(7-Methoxynaphth-1-yl)ethyl)pyrrolidin-2-one
Molecular formula	C17H19NO2
IUPAC name	1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one
Molecular weight	269.344
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.0
Synonyms	1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one CHEMBL111558 2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)- N-[2-(7-METHOXYNAPHTH-1-YL)ETHYL]-PYRROLIDIN-2-ONE 1-(2-(7-Methoxy-1-naphthalenyl)ethyl)-2-pyrrolidinone BDBM50037220 WVCJRSXAPLOQKL-UHFFFAOYSA-N 1-[2-(7-Methoxynaphthalene-1-yl)ethyl]pyrrolidine-2-one LS-138875 N-[2-(7-methoxynaphth-1-yl)ethyl]pyrrolidin-2-one 1-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-pyrrolidin-2-one ZINC13738647 138112-83-1 AC1MIKGD SCHEMBL5929492 [ Show all ]
Inchi Key	WVCJRSXAPLOQKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3
PubChem CID	3071635
ChEMBL	CHEMBL111558
IUPHAR	N/A
BindingDB	50037220
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	0.54 nM	PMID9873728	BindingDB
Ki	0.54 nM	PMID9873728	ChEMBL

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