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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

NameCHEMBL1081131
Molecular formulaC26H24N2O3
IUPAC name2-[4-[2-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
Molecular weight412.489
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50313725
4''-(2-(5-(4-methoxybenzyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
Inchi KeyCXKIPYCVARNYCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24N2O3/c1-31-22-13-8-19(9-14-22)16-21-17-27-25(28-21)15-10-18-6-11-20(12-7-18)23-4-2-3-5-24(23)26(29)30/h2-9,11-14,17H,10,15-16H2,1H3,(H,27,28)(H,29,30)
PubChem CID46881963
ChEMBLCHEMBL1081131
IUPHARN/A
BindingDB50313725
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity44.0 %PMID20167483ChEMBL
EC505360.0 nMPMID20167483BindingDB,ChEMBL

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