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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	GR196429
Molecular formula	C14H18N2O2
IUPAC name	N-[2-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)ethyl]acetamide
Molecular weight	246.31
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.4
Synonyms	CAS_5311134 N-[2-(2,3,7,8-Tetrahydro-1H-furo[2,3-g]indol-1-yl)-ethyl]-acetamide GR-196429 NSC_5311134 SCHEMBL1770631 AC1NSK28 L013171 D02VIZ N-[2-(2,3,7,8-Tetrahydro-1H-furo[2,3-g]indol-1-yl)ethyl]-acetamide 170729-12-1 PDSP1_001783 BDBM85064 LTYWTNUOUBBVNZ-UHFFFAOYSA-N GR 196429 N-[2-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)ethyl]acetamide GTPL1349 PDSP2_001766 [ Show all ]
Inchi Key	LTYWTNUOUBBVNZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)
PubChem CID	5311134
ChEMBL	N/A
IUPHAR	1349
BindingDB	85064
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	0.158489 - 0.199526 nM	PMID10696085, PMID9618428	IUPHAR
Ki	0.16 nM	PMID9618428	PDSP,BindingDB
Ki	0.48 nM	PMID9089668	PDSP,BindingDB

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