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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	CHEMBL3740377
Molecular formula	C32H32F4N2O4
IUPAC name	N-[2-[7-[4-[8-[2-[(2,2-difluoroacetyl)amino]ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]-2,2-difluoroacetamide
Molecular weight	584.612
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	7.6
Synonyms	N/A
Inchi Key	ASNVLUVKCDAISR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H32F4N2O4/c33-29(34)31(39)37-15-13-23-7-3-5-21-9-11-25(19-27(21)23)41-17-1-2-18-42-26-12-10-22-6-4-8-24(28(22)20-26)14-16-38-32(40)30(35)36/h3-12,19-20,29-30H,1-2,13-18H2,(H,37,39)(H,38,40)
PubChem CID	127041170
ChEMBL	CHEMBL3740377
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	14.45 nM	MedChemComm, (2015) 6:7:1340	ChEMBL
Ki	15.0 nM	MedChemComm, (2015) 6:7:1340	ChEMBL

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