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GPCR

NameBombesin receptor subtype-3
SpeciesHomo sapiens (Human)
GeneBRS3
Synonymbb3
BRS-3
bombesin receptor subtype-3
BB3 receptor
bombesin like receptor 3
DiseaseBreast cancer
Cancer
Length399
Amino acid sequenceMAQRQPHSPNQTLISITNDTESSSSVVSNDNTNKGWSGDNSPGIEALCAIYITYAVIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGRIGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPSNAILKTCVKAGCVWIVSMIFALPEAIFSNVYTFRDPNKNMTFESCTSYPVSKKLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIARTVLVLVALFALCWLPNHLLYLYHSFTSQTYVDPSAMHFIFTIFSRVLAFSNSCVNPFALYWLSKSFQKHFKAQLFCCKAERPEPPVADTSLTTLAVMGTVPGTGSIQMSEISVTSFTGCSVKQAEDRF
UniProtP32247
Protein Data BankN/A
GPCR-HGmod modelP32247
3D structure modelThis predicted structure model is from GPCR-EXP P32247.
BioLiPN/A
Therapeutic Target DatabaseT68887
ChEMBLCHEMBL4080
IUPHAR40
DrugBankN/A

Ligand

NameCHEMBL1098836
Molecular formulaC26H34N6O
IUPAC nameN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)-2,2-dimethylpropanamide
Molecular weight446.599
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50317453
N-(7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)pivalamide
Inchi KeyBWSSPVMQSGXOPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N6O/c1-26(2,3)25(33)28-23-21-19-12-15-31(16-18-10-6-4-7-11-18)17-20(19)24(27-22(21)29-30-23)32-13-8-5-9-14-32/h4,6-7,10-11H,5,8-9,12-17H2,1-3H3,(H2,27,28,29,30,33)
PubChem CID46888017
ChEMBLCHEMBL1098836
IUPHARN/A
BindingDB50317453
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity37.0 %PMID20371178ChEMBL
EC501542.0 nMPMID20371178BindingDB,ChEMBL

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