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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	CHEMBL1093184
Molecular formula	C22H26FN3
IUPAC name	2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-5-fluoropyridine
Molecular weight	351.469
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.6
Synonyms	BDBM50314976 SCHEMBL6982670 2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-5-fluoropyridine
Inchi Key	KYTBMJJCUATLFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26FN3/c1-4-22(2,3)13-19-15-25-21(26-19)12-7-16-5-8-17(9-6-16)20-11-10-18(23)14-24-20/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3,(H,25,26)
PubChem CID	25025861
ChEMBL	CHEMBL1093184
IUPHAR	N/A
BindingDB	50314976
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	66.0 nM	PMID20219372, PMID24900253	BindingDB,ChEMBL
EC50	97.0 nM	PMID20219372	BindingDB,ChEMBL
Emax	97.0 %	PMID24900253	ChEMBL
IC50	16.0 nM	PMID24900253	BindingDB,ChEMBL
IC50	19.0 nM	PMID20219372	BindingDB,ChEMBL

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