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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

NameCHEMBL1089511
Molecular formulaC19H24N4S
IUPAC name4-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]thiadiazole
Molecular weight340.489
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
Synonyms4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-1,2,3-thiadiazole
BDBM50314978
Inchi KeyAPZIDMYPKSRDGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N4S/c1-4-19(2,3)11-16-12-20-18(21-16)10-7-14-5-8-15(9-6-14)17-13-24-23-22-17/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21)
PubChem CID46884659
ChEMBLCHEMBL1089511
IUPHARN/A
BindingDB50314978
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50104.0 nMPMID20219372BindingDB,ChEMBL
EC50538.0 nMPMID20219372BindingDB,ChEMBL
IC5045.0 nMPMID20219372BindingDB,ChEMBL

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