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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	CHEMBL1097551
Molecular formula	C19H24N6
IUPAC name	7-benzyl-5-N-propan-2-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Molecular weight	336.443
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.0
Synonyms	7-benzyl-N5-isopropyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine BDBM50317471
Inchi Key	HRFFYPNVGHVTPQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N6/c1-12(2)21-18-15-11-25(10-13-6-4-3-5-7-13)9-8-14(15)16-17(20)23-24-19(16)22-18/h3-7,12H,8-11H2,1-2H3,(H4,20,21,22,23,24)
PubChem CID	46887875
ChEMBL	CHEMBL1097551
IUPHAR	N/A
BindingDB	50317471
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	1.8 %	PMID20371178	ChEMBL
EC50	10000.0 nM	PMID20371178	BindingDB,ChEMBL

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