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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	Gallus gallus (Chicken)
Gene
Synonym	Mel-1B-R Mel1b receptor
Disease	N/A for non-human GPCRs
Length	289
Amino acid sequence	GNAFVVSLALADLVVALYPYPLVLLAIFHNGWTLGEMHCKVSGFVMGLSVIGSIFNITAIAINRYCYICHSFAYDKVYSCWNTMLYVSLIWVLTVIATVPNFFVGSLKYDPRIYSCTFVQTASSYYTIAVVVIHFIVPITVVSFCYLRIWVLVLQVRRRVKSETKPRLKPSDFRNFLTMFVVFVIFAFCWAPLNFIGLAVAINPSEMAPKVPEWLFIISYFMAYFNSCLNAIIYGLLNQNFRNEYKRILMSLWMPRLFFQDTSKGGTDGQKSKPSPALNNNDQMKTDTL
UniProt	P51050
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4466
IUPHAR	N/A
DrugBank	N/A

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	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 2-Acetylamino-8-methoxytetraline AC1MI7DG BCP9000251 N-(8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetamide 8-M-ADOT Acetamide,N-(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl)- CHEMBL53015 PDSP1_001813 153221-21-7 8-methoxy-2-acetamidotetraline AKOS022488631 MolPort-022-863-694 VDJCYVYVTWEIPD-UHFFFAOYSA-N 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 2-Acetamido-8-methoxytetralin 80270-68-4 AN-17170 N-(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl) acetamide [ 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	161.0 nM	PMID9873728	BindingDB,ChEMBL

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