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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1089721
Molecular formula	C24H28N2O2
IUPAC name	2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
Molecular weight	376.5
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	6.0
Synonyms	GTPL8504 4''-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylicacid compound 22e [PMID: 20167483] SCHEMBL6983410 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid 4''-(2-(5-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid D0U4ZS BDBM50313751 4''-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid compound 22e [ Show all ]
Inchi Key	AXHVEQQLKVIZLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
PubChem CID	46845425
ChEMBL	CHEMBL1089721
IUPHAR	8504
BindingDB	50313751
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
Activity	101.0 %	PMID20347296, PMID20167483	ChEMBL
EC50	25.0 nM	PMID20347296, PMID20219372, PMID20167483	BindingDB,ChEMBL
EC50	101.0 nM	PMID20219372	BindingDB,ChEMBL
IC50	11.0 nM	PMID20347296, PMID20219372	BindingDB,ChEMBL
IC50	25.0 nM	PMID20167483	IUPHAR

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