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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	CHEMBL1095528
Molecular formula	C23H30N6
IUPAC name	7-benzyl-N-ethyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
Molecular weight	390.535
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.2
Synonyms	7-benzyl-N-ethyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine BDBM50317446
Inchi Key	UGNFIQDGTUYKNT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30N6/c1-2-24-21-20-18-11-14-28(15-17-9-5-3-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-4-8-13-29/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H2,24,25,26,27)
PubChem CID	46888066
ChEMBL	CHEMBL1095528
IUPHAR	N/A
BindingDB	50317446
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	53.0 %	PMID20371178	ChEMBL
EC50	10000.0 nM	PMID20371178	BindingDB,ChEMBL

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