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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	5-hydroxyethoxy-N-acetyltryptamine
Molecular formula	C14H18N2O3
IUPAC name	N-[2-[5-(2-hydroxyethoxy)-1H-indol-3-yl]ethyl]acetamide
Molecular weight	262.309
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.1
Synonyms	N-[2-[5-(2-Hydroxyethoxy)-1H-indole-3-yl]ethyl]acetamide Acetamide, N-[2-[5-(2-hydroxyethoxy)-1H-indol-3-yl]ethyl]- CTK0I9432 GTPL1345 5-HEAT SCHEMBL6257511 D08SGV N-[2-[5-(2-hydroxyethoxy)-1H-indol-3-yl]ethyl]acetamide CHEMBL126809 DTXSID40445810 214416-49-6 [ Show all ]
Inchi Key	CZPLTTWZQPLXMQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N2O3/c1-10(18)15-5-4-11-9-16-14-3-2-12(8-13(11)14)19-7-6-17/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18)
PubChem CID	10849065
ChEMBL	CHEMBL126809
IUPHAR	1345
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
Ki	79.4328 nM	PMID11068946	IUPHAR

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