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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	CHEMBL3115395
Molecular formula	C23H20F3N3O2
IUPAC name	2-(3-phenoxyphenyl)-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
Molecular weight	427.427
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM50447501
Inchi Key	CCKKAGYKFZUQCU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20F3N3O2/c24-23(25,26)20-10-9-17-15-29(12-11-27-22(17)28-20)21(30)14-16-5-4-8-19(13-16)31-18-6-2-1-3-7-18/h1-10,13H,11-12,14-15H2,(H,27,28)
PubChem CID	76325135
ChEMBL	CHEMBL3115395
IUPHAR	N/A
BindingDB	50447501
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	8.5 nM	PMID25497965, PMID24412111	BindingDB,ChEMBL

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