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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	N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
Molecular formula	C12H13FN2O
IUPAC name	N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
Molecular weight	220.247
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	0.9
Synonyms	2806-01-1 CTK0J2230 SR-01000312278 acetamide,n-[2-(5-fluoro-1h-indol-3-yl)ethyl]- MCULE-9702651152 UDLASALUJLTGJV-UHFFFAOYSA-N AC1LF832 DTXSID30351390 SR-01000312278-1 AKOS000623433 MolPort-001-973-143 ZINC77351 CHEMBL284521 SCHEMBL4512654 Acetamide, N-[2-(5-fluoro-1H-indol-3-yl)ethyl]- KB-294717 STK087268 BAS 02078465 N-[2-(5-Fluoro-1H-indol-3-yl)-ethyl]-acetamide [ Show all ]
Inchi Key	UDLASALUJLTGJV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
PubChem CID	699127
ChEMBL	CHEMBL284521
IUPHAR	N/A
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
Intrinsic activity	0.88 -	PMID12672242	ChEMBL

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