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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 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	CHEMBL33700
Molecular formula	C14H18N2O2
IUPAC name	N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]acetamide
Molecular weight	246.31
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.5
Synonyms	N-(2-(5-methoxy-1-methyl-1H-indol-3-yl)ethyl)acetamide SCHEMBL5144427 N-[2-(1-Methyl-5-methoxy-1H-indole-3-yl)ethyl]acetamide BDBM50066960 ZINC13473193 methylmelatonin N-[2-(5-Methoxy-1-methyl-1H-indol-3-yl)-ethyl]-acetamide [ Show all ]
Inchi Key	GSMWHFKFNGUYRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N2O2/c1-10(17)15-7-6-11-9-16(2)14-5-4-12(18-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)
PubChem CID	11776674
ChEMBL	CHEMBL33700
IUPHAR	N/A
BindingDB	50066960
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	0.98 -	PMID12672242	ChEMBL
Ki	1.738 nM	PMID12672242	ChEMBL
Ki	3.1 nM	PMID11960497	BindingDB,ChEMBL
Relative affinity	-0.77 -	PMID12672242	ChEMBL

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