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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

NameCHEMBL1099034
Molecular formulaC24H26N6
IUPAC name5-[2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]phenyl]-2H-tetrazole
Molecular weight398.514
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50316909
5-(4''-(2-(4-(cyclopentylmethyl)-2H-imidazol-2-yl)ethyl)biphenyl-2-yl)-1H-tetrazole
Inchi KeyAVFLPCCKTSYVRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N6/c1-2-6-18(5-1)15-20-16-25-23(26-20)14-11-17-9-12-19(13-10-17)21-7-3-4-8-22(21)24-27-29-30-28-24/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28,29,30)
PubChem CID46889145
ChEMBLCHEMBL1099034
IUPHARN/A
BindingDB50316909
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity112.0 %PMID20347296ChEMBL
EC5056.0 nMPMID20347296BindingDB,ChEMBL
IC5015.0 nMPMID20347296BindingDB,ChEMBL

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