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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	CHEMBL1097471
Molecular formula	C23H28N6O
IUPAC name	1-(1-amino-7-benzyl-5-piperidin-1-yl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridin-3-yl)ethanone
Molecular weight	404.518
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM50317443 1-(1-amino-7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-3-yl)ethanone
Inchi Key	FBEXOKGCNDBGIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N6O/c1-16(30)29-23-20(21(24)26-29)18-10-13-27(14-17-8-4-2-5-9-17)15-19(18)22(25-23)28-11-6-3-7-12-28/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,26)
PubChem CID	46888069
ChEMBL	CHEMBL1097471
IUPHAR	N/A
BindingDB	50317443
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	20.0 %	PMID20371178	ChEMBL
EC50	10000.0 nM	PMID20371178	BindingDB,ChEMBL

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