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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	CHEMBL1098825
Molecular formula	C21H23FN6O
IUPAC name	(1-amino-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-(4-fluorophenyl)methanone
Molecular weight	394.454
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.9
Synonyms	BDBM50317457 7-(4-Fluorobenzoyl)-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-ylamine
Inchi Key	RTRVVHLTJHRRNU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23FN6O/c22-14-6-4-13(5-7-14)21(29)28-11-8-15-16(12-28)20(27-9-2-1-3-10-27)24-19-17(15)18(23)25-26-19/h4-7H,1-3,8-12H2,(H3,23,24,25,26)
PubChem CID	46887979
ChEMBL	CHEMBL1098825
IUPHAR	N/A
BindingDB	50317457
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID20371178	BindingDB,ChEMBL

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