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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

NameCHEMBL1093170
Molecular formulaC22H27N3O
IUPAC name6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one
Molecular weight349.478
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.8
Synonyms6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridin-2-ol
BDBM50314973
Inchi KeyCQGYWEOGNSVKSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O/c1-4-22(2,3)14-18-15-23-20(24-18)13-10-16-8-11-17(12-9-16)19-6-5-7-21(26)25-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,23,24)(H,25,26)
PubChem CID46884627
ChEMBLCHEMBL1093170
IUPHARN/A
BindingDB50314973
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50100.0 nMPMID20219372BindingDB,ChEMBL
EC50169.0 nMPMID20219372BindingDB,ChEMBL
IC5051.0 nMPMID20219372BindingDB,ChEMBL

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