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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	CHEMBL34729
Molecular formula	C15H18N2O2
IUPAC name	N-[(4-methoxy-1H-indol-2-yl)methyl]cyclobutanecarboxamide
Molecular weight	258.321
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.2
Synonyms	N-[(4-Methoxy-1H-indole-2-yl)methyl]cyclobutanecarboxamide
Inchi Key	BDBFRVSIZCSSBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H18N2O2/c1-19-14-7-3-6-13-12(14)8-11(17-13)9-16-15(18)10-4-2-5-10/h3,6-8,10,17H,2,4-5,9H2,1H3,(H,16,18)
PubChem CID	10563168
ChEMBL	CHEMBL34729
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
IAr	0.26 -	PMID11520198	ChEMBL
Intrinsic activity	0.26 -	PMID12672242	ChEMBL
Ki	645.65 nM	PMID11520198	ChEMBL
pRA2	-3.36 -	PMID12672242	ChEMBL

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