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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.
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GPCR

Name	Bombesin receptor subtype-3
Species	Homo sapiens (Human)
Gene	BRS3
Synonym	bombesin receptor subtype-3 BRS-3 bombesin like receptor 3 BB3 receptor bb3
Disease	Breast cancer Cancer
Length	399
Amino acid sequence	MAQRQPHSPNQTLISITNDTESSSSVVSNDNTNKGWSGDNSPGIEALCAIYITYAVIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGRIGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPSNAILKTCVKAGCVWIVSMIFALPEAIFSNVYTFRDPNKNMTFESCTSYPVSKKLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIARTVLVLVALFALCWLPNHLLYLYHSFTSQTYVDPSAMHFIFTIFSRVLAFSNSCVNPFALYWLSKSFQKHFKAQLFCCKAERPEPPVADTSLTTLAVMGTVPGTGSIQMSEISVTSFTGCSVKQAEDRF
UniProt	P32247
Protein Data Bank	N/A
GPCR-HGmod model	P32247
3D structure model	This predicted structure model is from GPCR-EXP P32247.
BioLiP	N/A
Therapeutic Target Database	T68887
ChEMBL	CHEMBL4080
IUPHAR	40
DrugBank	N/A

Ligand

Name	CHEMBL1093459
Molecular formula	C20H25N3S
IUPAC name	5-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2-thiazole
Molecular weight	339.501
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.6
Synonyms	BDBM50314977 5-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)isothiazole
Inchi Key	GRCKAQPBPSKRBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N3S/c1-4-20(2,3)13-17-14-21-19(23-17)10-7-15-5-8-16(9-6-15)18-11-12-22-24-18/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,21,23)
PubChem CID	46884630
ChEMBL	CHEMBL1093459
IUPHAR	N/A
BindingDB	50314977
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	63.0 nM	PMID20219372	BindingDB,ChEMBL
EC50	102.0 nM	PMID20219372	BindingDB,ChEMBL
IC50	11.0 nM	PMID20219372	BindingDB,ChEMBL

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