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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	CHEMBL298335
Molecular formula	C13H15N3O4
IUPAC name	N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide
Molecular weight	277.28
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.4
Synonyms	Acetamide, N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]- N-[2-(5-methoxy-6-nitro-1H-indol-3-yl)ethyl]acetamide ZINC1514066 MolPort-001-736-423 BDBM50112205 N-[2-(6-Nitro-5-methoxy-1H-indole-3-yl)ethyl]acetamide CTK1B9840 AC1N02L2 N-[2-(5-Methoxy-6-nitro-1H-indol-3-yl)-ethyl]-acetamide STK098219 313373-75-0 DTXSID10398223 [ Show all ]
Inchi Key	BCLGLBCJLIBAHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15N3O4/c1-8(17)14-4-3-9-7-15-11-6-12(16(18)19)13(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,17)
PubChem CID	3956219
ChEMBL	CHEMBL298335
IUPHAR	N/A
BindingDB	50112205
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	5.3 nM	PMID11960497	BindingDB,ChEMBL

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