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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	CHEMBL1095741
Molecular formula	C22H28N6
IUPAC name	5-(azepan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
Molecular weight	376.508
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	BDBM50317450 5-(azepan-1-yl)-7-benzyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
Inchi Key	XHISSIJKGVHSNQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N6/c23-20-19-17-10-13-27(14-16-8-4-3-5-9-16)15-18(17)22(24-21(19)26-25-20)28-11-6-1-2-7-12-28/h3-5,8-9H,1-2,6-7,10-15H2,(H3,23,24,25,26)
PubChem CID	46887766
ChEMBL	CHEMBL1095741
IUPHAR	N/A
BindingDB	50317450
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	9.0 %	PMID20371178	ChEMBL
EC50	10000.0 nM	PMID20371178	BindingDB,ChEMBL

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