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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	CHEMBL478438
Molecular formula	C25H27NO3
IUPAC name	N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]cyclobutanecarboxamide
Molecular weight	389.495
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BDBM50263663 N-[2-(3-(3-Hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl]cyclobutyl carboxamide SCHEMBL5929488
Inchi Key	CIIZALZCWRDKFN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H27NO3/c1-29-23-9-8-20-13-22(19-7-2-4-17(12-19)16-27)14-21(24(20)15-23)10-11-26-25(28)18-5-3-6-18/h2,4,7-9,12-15,18,27H,3,5-6,10-11,16H2,1H3,(H,26,28)
PubChem CID	12985496
ChEMBL	CHEMBL478438
IUPHAR	N/A
BindingDB	50263663
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	48.3 nM	PMID18778943	PDSP
Ki	48.3 nM	PMID18778943	BindingDB,ChEMBL

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