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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	CHEMBL562328
Molecular formula	C18H25N3O2
IUPAC name	N-[2-(9-methoxy-2-methyl-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-11-yl)ethyl]acetamide
Molecular weight	315.417
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.5
Synonyms	N/A
Inchi Key	AJXXAUPRLYVAPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-3)5-6-17(16)21-10-4-9-20(2)12-18(15)21/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,22)
PubChem CID	45268318
ChEMBL	CHEMBL562328
IUPHAR	N/A
BindingDB	N/A
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	891.25 nM	PMID19473848	ChEMBL

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