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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	CHEMBL1098185
Molecular formula	C22H28N6
IUPAC name	7-benzyl-5-N-cyclohexyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Molecular weight	376.508
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.0
Synonyms	7-benzyl-N5-cyclohexyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine STK354826 BDBM50317470 MCULE-2396550014 7-benzyl-N~5~-cyclohexyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine ZINC20100317 MolPort-006-382-464 AKOS005434930 [ Show all ]
Inchi Key	ANCYCLDLQNJWMK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N6/c23-20-19-17-11-12-28(13-15-7-3-1-4-8-15)14-18(17)21(25-22(19)27-26-20)24-16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H4,23,24,25,26,27)
PubChem CID	25249151
ChEMBL	CHEMBL1098185
IUPHAR	N/A
BindingDB	50317470
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	1.0 %	PMID20371178	ChEMBL
EC50	10000.0 nM	PMID20371178	BindingDB,ChEMBL

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