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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	CHEMBL3580917
Molecular formula	C13H13N3O2
IUPAC name	2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazole
Molecular weight	243.266
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.1
Synonyms	J3.583.575J 3-(2-(1,3,4-Oxadiazole-5-yl)ethyl)-5-methoxy-1H-indole BDBM50097067
Inchi Key	CCWOIVFWOGTGCZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H13N3O2/c1-17-10-3-4-12-11(6-10)9(7-14-12)2-5-13-16-15-8-18-13/h3-4,6-8,14H,2,5H2,1H3
PubChem CID	122178508
ChEMBL	CHEMBL3580917
IUPHAR	N/A
BindingDB	50097067
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	457.0 nM	PMID26023814	BindingDB,ChEMBL
Emax	25.0 %	PMID26023814	ChEMBL
Ki	68.0 nM	PMID26023814	BindingDB,ChEMBL

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