Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	CHEMBL1098098
Molecular formula	C20H24N6O
IUPAC name	7-benzyl-5-morpholin-4-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
Molecular weight	364.453
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.9
Synonyms	STL303926 AC1MMNVV 304872-13-7 MolPort-002-539-636 7-benzyl-5-morpholin-4-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine AKOS022135719 ZINC2226488 Oprea1_049294 7-benzyl-5-morpholino-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine BDBM50317475 MCULE-1233629415 7-benzyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine [ Show all ]
Inchi Key	FSFMFLKTKIVZGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N6O/c21-18-17-15-6-7-25(12-14-4-2-1-3-5-14)13-16(15)20(22-19(17)24-23-18)26-8-10-27-11-9-26/h1-5H,6-13H2,(H3,21,22,23,24)
PubChem CID	3288900
ChEMBL	CHEMBL1098098
IUPHAR	N/A
BindingDB	50317475
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	1.3 %	PMID20371178	ChEMBL
EC50	10000.0 nM	PMID20371178	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417