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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	N-0889
Molecular formula	C20H22N2O
IUPAC name	N-[2-(2-benzyl-1H-indol-3-yl)ethyl]propanamide
Molecular weight	306.409
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	4.1
Synonyms	2-BENZYL-N-PROPIONYLTRYPTAMINE N-[2-(2-Benzyl-1H-indol-3-yl)ethyl]propionamide PDSP2_001802 N 0889 OLEHNCMFIDHEJG-UHFFFAOYSA-N CHEMBL286219 SCHEMBL9401112 BDBM85062 PDSP1_001819 Luzindole,N-propanoyl [ Show all ]
Inchi Key	OLEHNCMFIDHEJG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O/c1-2-20(23)21-13-12-17-16-10-6-7-11-18(16)22-19(17)14-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,21,23)
PubChem CID	19023747
ChEMBL	CHEMBL286219
IUPHAR	N/A
BindingDB	85062
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	4.9 nM	PMID9089668	BindingDB
Ki	22.9 nM	PMID9840420	BindingDB
pRA2	-1.33 -	PMID12672242	ChEMBL

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