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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.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL457807
Molecular formula	C22H24BrN3O2
IUPAC name	N-[2-[2-[(5-bromo-2,3-dihydroindol-1-yl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
Molecular weight	442.357
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50266451 N-(2-{2-[(5-Bromo-2,3-dihydro-1H-indol-1yl)methyl)]-5-methoxy-1H-indole-3-yl}ethyl)acetamide
Inchi Key	BAJRMGIGHLXDAM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24BrN3O2/c1-14(27)24-9-7-18-19-12-17(28-2)4-5-20(19)25-21(18)13-26-10-8-15-11-16(23)3-6-22(15)26/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,24,27)
PubChem CID	25209999
ChEMBL	CHEMBL457807
IUPHAR	N/A
BindingDB	50266451
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	30.0 nM	PMID19193160	BindingDB,ChEMBL
Ki	30.2 nM	PMID19193160	ChEMBL

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