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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 1B
Species	Homo sapiens (Human)
Gene	MTNR1B
Synonym	MT2 receptor mel1b receptor Mel-1B-R
Disease	Epilepsy
Length	362
Amino acid sequence	MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
UniProt	P49286
Protein Data Bank	N/A
GPCR-HGmod model	P49286
3D structure model	This predicted structure model is from GPCR-EXP P49286.
BioLiP	N/A
Therapeutic Target Database	T48268
ChEMBL	CHEMBL1946
IUPHAR	288
DrugBank	BE0000327

Ligand

Name	CHEMBL3760044
Molecular formula	C18H20N2O3
IUPAC name	1-ethyl-3-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]urea
Molecular weight	312.369
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BDBM50144311
Inchi Key	ACOBYGMBJMXULD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O3/c1-3-19-18(21)20-9-8-13-11-23-16-7-5-12-4-6-14(22-2)10-15(12)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
PubChem CID	127025786
ChEMBL	CHEMBL3760044
IUPHAR	N/A
BindingDB	50144311
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	6.2 nM	PMID26820449	BindingDB,ChEMBL
Emax	93.0 %	PMID26820449	ChEMBL
Ki	226.0 nM	PMID26820449	BindingDB,ChEMBL

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