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GLASS

You can:

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	UNII-3SH45L9H3Z
Molecular formula	C15H19IN4S
IUPAC name	3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate
Molecular weight	414.309
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.3
Synonyms	3SH45L9H3Z Tocris-0779 BDBM22913 L000316 {[3-(1H-imidazol-5-yl)propyl]sulfanyl}-N''''-[2-(4-iodophenyl)ethyl]methanimidamide 3-(1H-Imidazol-5-yl)propyl N'-(2-(4-iodophenyl)ethyl)imidothiocarbamate Carbamimidothioic acid, [2-(4-iodophenyl)ethyl]-,3-(1H-imidazol-4-yl)propyl ester SCHEMBL114508 CHEMBL498770 145196-88-9 BDBM50170165 NCGC00024785-01 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate CHEBI:92905 SCHEMBL13039517 AC1MHZWP DTXSID20273996 ZINC14979644 BRD-K51918615-303-01-1 NCGC00024785-02 [ Show all ]
Inchi Key	UBHYDQAARZKHEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
PubChem CID	3035746
ChEMBL	CHEMBL498770
IUPHAR	N/A
BindingDB	50170165, 22913
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	<10000.0 nM	PMID8564266	BindingDB

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