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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	CHEMBL3580909
Molecular formula	C14H16N2O2
IUPAC name	2-(5-methoxy-1H-indol-3-yl)-N-prop-2-enylacetamide
Molecular weight	244.294
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.9
Synonyms	BDBM50096977 J3.583.566K N-Allyl-5-methoxy-1H-indole-3-acetamide AKOS029261781
Inchi Key	BRKWQBQNZRMYKO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)
PubChem CID	86273229
ChEMBL	CHEMBL3580909
IUPHAR	N/A
BindingDB	50096977
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	132.0 nM	PMID26023814	BindingDB,ChEMBL
Emax	70.0 %	PMID26023814	ChEMBL
Ki	4.9 nM	PMID26023814	BindingDB,ChEMBL

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