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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

NameCHEMBL1097471
Molecular formulaC23H28N6O
IUPAC name1-(1-amino-7-benzyl-5-piperidin-1-yl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridin-3-yl)ethanone
Molecular weight404.518
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
Synonyms1-(1-amino-7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-3-yl)ethanone
BDBM50317443
Inchi KeyFBEXOKGCNDBGIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N6O/c1-16(30)29-23-20(21(24)26-29)18-10-13-27(14-17-8-4-2-5-9-17)15-19(18)22(25-23)28-11-6-3-7-12-28/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,26)
PubChem CID46888069
ChEMBLCHEMBL1097471
IUPHARN/A
BindingDB50317443
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity20.0 %PMID20371178ChEMBL
EC5010000.0 nMPMID20371178BindingDB,ChEMBL

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