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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	CHEMBL1088826
Molecular formula	C24H25NO3
IUPAC name	N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]benzamide
Molecular weight	375.468
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50315179 N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)benzamide
Inchi Key	ADHCOHYCHZGJSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25NO3/c1-27-22-14-15-23(28-18-19-9-4-2-5-10-19)21(17-22)13-8-16-25-24(26)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16,18H2,1H3,(H,25,26)
PubChem CID	46885229
ChEMBL	CHEMBL1088826
IUPHAR	N/A
BindingDB	50315179
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	2300.0 nM	PMID20227878	BindingDB,ChEMBL

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