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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

NameCHEMBL1091917
Molecular formulaC18H24N6
IUPAC name2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]tetrazole
Molecular weight324.432
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50314984
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-2H-tetrazole
Inchi KeyGMVHACDFLPWRML-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N6/c1-4-18(2,3)11-15-12-19-17(22-15)10-7-14-5-8-16(9-6-14)24-21-13-20-23-24/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,19,22)
PubChem CID46884687
ChEMBLCHEMBL1091917
IUPHARN/A
BindingDB50314984
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5089.0 nMPMID20219372BindingDB,ChEMBL
EC50422.0 nMPMID20219372BindingDB,ChEMBL
IC50205.0 nMPMID20219372BindingDB,ChEMBL

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