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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	CHEMBL269175
Molecular formula	C20H20N2O
IUPAC name	N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]propanamide
Molecular weight	304.393
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.4
Synonyms	N-[2-(6H-Isoindolo[2,1-a]indole-11-yl)ethyl]propanamide BDBM50086009 N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)-ethyl]-propionamide
Inchi Key	CNNNRHUYINPODV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N2O/c1-2-19(23)21-12-11-17-16-9-5-6-10-18(16)22-13-14-7-3-4-8-15(14)20(17)22/h3-10H,2,11-13H2,1H3,(H,21,23)
PubChem CID	10518621
ChEMBL	CHEMBL269175
IUPHAR	N/A
BindingDB	50086009
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	17.4 nM	PMID10737738	BindingDB,ChEMBL
pRA2	-1.71 -	PMID12672242	ChEMBL

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