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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	CHEMBL284158
Molecular formula	C13H16N2O
IUPAC name	N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
Molecular weight	216.284
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.7
Synonyms	AC1LF838 N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide PDSP2_001774 5-methyl N-acetyl tryptamine N-Acetyltryptamine,5-Methyl SR-01000104136-1 AKOS000623498 N-[2-(5-METHYLINDOL-3-YL)ETHYL]ACETAMIDE SCHEMBL1771902 N-[2-(5-Methyl-1H-indol-3-yl)-ethyl]-acetamide ZINC77354 BDBM50066959 PDSP1_001791 MUZPBNQEMRYLDI-UHFFFAOYSA-N SR-01000104136 [ Show all ]
Inchi Key	MUZPBNQEMRYLDI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2O/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
PubChem CID	699129
ChEMBL	CHEMBL284158
IUPHAR	N/A
BindingDB	50066959
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	0.85 -	PMID12672242	ChEMBL
Ki	41.0 nM	PMID9618903	BindingDB

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