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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	AH-001
Molecular formula	C13H17NO2
IUPAC name	N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
Molecular weight	219.284
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.9
Synonyms	8-M-ADOT Acetamide,N-(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl)- CHEMBL53015 PDSP1_001813 8-methoxy-2-acetamidotetraline AKOS022488631 MolPort-022-863-694 VDJCYVYVTWEIPD-UHFFFAOYSA-N 153221-21-7 2-Amtt Acetamide, N-(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl)- BDBM50035176 N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide 8-methoxy-2-acetamido-tetralin AH 001 FT-0770383 PDSP2_001796 80270-68-4 AN-17170 N-(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl) acetamide 2-Acetamido-8-methoxytetralin Acetamide, N-(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl)-, (R)- N-(8-methoxytetralin-2-yl)acetamide 8-Methoxy-2-acetamidotetralin M-ADOT, 8- SCHEMBL3919777 AC1MI7DG BCP9000251 N-(8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetamide 2-Acetylamino-8-methoxytetraline [ Show all ]
Inchi Key	VDJCYVYVTWEIPD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H17NO2/c1-9(15)14-11-7-6-10-4-3-5-13(16-2)12(10)8-11/h3-5,11H,6-8H2,1-2H3,(H,14,15)
PubChem CID	3018920
ChEMBL	CHEMBL53015
IUPHAR	N/A
BindingDB	50035176
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	4.1 nM	PMID9089668	BindingDB

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