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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

NameCHEMBL1091087
Molecular formulaC23H26N2O2
IUPAC name2-[4-[2-(5-butyl-1H-imidazol-2-yl)propyl]phenyl]benzoic acid
Molecular weight362.473
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.5
Synonyms4''-(2-(5-butyl-1H-imidazol-2-yl)propyl)biphenyl-2-carboxylic acid
BDBM50313714
Inchi KeyBPBYYDCGWLCZRK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2O2/c1-3-4-7-19-15-24-22(25-19)16(2)14-17-10-12-18(13-11-17)20-8-5-6-9-21(20)23(26)27/h5-6,8-13,15-16H,3-4,7,14H2,1-2H3,(H,24,25)(H,26,27)
PubChem CID46881921
ChEMBLCHEMBL1091087
IUPHARN/A
BindingDB50313714
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity79.0 %PMID20167483ChEMBL
EC502760.0 nMPMID20167483BindingDB,ChEMBL

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