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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

NameCHEMBL470806
Molecular formulaC17H14ClNO4
IUPAC name2-[2-(6-chloro-1,3-benzodioxol-5-yl)ethyl]-5-methoxy-1,3-benzoxazole
Molecular weight331.752
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
Synonyms2-(2-(6-chlorobenzo[d][1,3]dioxol-5-yl)ethyl)-5-methoxybenzo[d]oxazole
BDBM50275840
Inchi KeyDIIAHYXBGJGDLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14ClNO4/c1-20-11-3-4-14-13(7-11)19-17(23-14)5-2-10-6-15-16(8-12(10)18)22-9-21-15/h3-4,6-8H,2,5,9H2,1H3
PubChem CID44589926
ChEMBLCHEMBL470806
IUPHARN/A
BindingDB50275840
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<32000.0 nMPMID18818070BindingDB,ChEMBL

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