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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

NameCHEMBL56369
Molecular formulaC27H28N6O3
IUPAC name3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[(2-pyridin-3-ylacetyl)amino]carbamoylamino]propanamide
Molecular weight484.56
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.8
SynonymsBDBM50127544
SCHEMBL13886843
Inchi KeyGJNHOUWECRMHAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6O3/c34-25(15-20-9-6-13-28-17-20)32-33-27(36)31-24(16-21-18-30-23-11-5-4-10-22(21)23)26(35)29-14-12-19-7-2-1-3-8-19/h1-11,13,17-18,24,30H,12,14-16H2,(H,29,35)(H,32,34)(H2,31,33,36)
PubChem CID44300355
ChEMBLCHEMBL56369
IUPHARN/A
BindingDB50127544
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501.4 nMPMID12723954BindingDB,ChEMBL

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