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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

NameCHEMBL1094054
Molecular formulaC25H30N6O
IUPAC name5-[[2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenoxy]methyl]-2H-tetrazole
Molecular weight430.556
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
Synonyms5-((4''-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-yloxy)methyl)-1H-tetrazole
BDBM50316914
SCHEMBL3515827
Inchi KeyBOVVZHBTPIUNQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N6O/c1-4-25(2,3)15-20-16-26-23(27-20)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)32-17-24-28-30-31-29-24/h5-10,12-13,16H,4,11,14-15,17H2,1-3H3,(H,26,27)(H,28,29,30,31)
PubChem CID25025863
ChEMBLCHEMBL1094054
IUPHARN/A
BindingDB50316914
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity111.0 %PMID20347296ChEMBL
EC5030.0 nMPMID20347296BindingDB,ChEMBL
IC505.3 nMPMID20347296BindingDB,ChEMBL

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