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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.
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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	CHEMBL1093170
Molecular formula	C22H27N3O
IUPAC name	6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one
Molecular weight	349.478
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.8
Synonyms	6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridin-2-ol BDBM50314973
Inchi Key	CQGYWEOGNSVKSP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27N3O/c1-4-22(2,3)14-18-15-23-20(24-18)13-10-16-8-11-17(12-9-16)19-6-5-7-21(26)25-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,23,24)(H,25,26)
PubChem CID	46884627
ChEMBL	CHEMBL1093170
IUPHAR	N/A
BindingDB	50314973
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	100.0 nM	PMID20219372	BindingDB,ChEMBL
EC50	169.0 nM	PMID20219372	BindingDB,ChEMBL
IC50	51.0 nM	PMID20219372	BindingDB,ChEMBL

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