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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

NameCHEMBL1085434
Molecular formulaC25H22N2O2
IUPAC name2-[4-[2-(5-benzyl-1H-imidazol-2-yl)ethyl]phenyl]benzoic acid
Molecular weight382.463
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50313721
4''-(2-(5-benzyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
Inchi KeyANHWCAHXALYTNY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N2O2/c28-25(29)23-9-5-4-8-22(23)20-13-10-18(11-14-20)12-15-24-26-17-21(27-24)16-19-6-2-1-3-7-19/h1-11,13-14,17H,12,15-16H2,(H,26,27)(H,28,29)
PubChem CID46881416
ChEMBLCHEMBL1085434
IUPHARN/A
BindingDB50313721
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity109.0 %PMID20167483ChEMBL
EC50205.0 nMPMID20167483BindingDB,ChEMBL

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