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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

NameCHEMBL291524
Molecular formulaC31H33ClN4O3
IUPAC name2-[2-[3-(4-chlorophenyl)propanoylamino]propanoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
Molecular weight545.08
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP4.7
SynonymsBDBM50127546
2-{2-[3-(4-Chloro-phenyl)-propionylamino]-propionylamino}-3-(1H-indol-3-yl)-N-phenethyl-propionamide
Inchi KeyDHNVWAPQMTWJBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33ClN4O3/c1-21(35-29(37)16-13-23-11-14-25(32)15-12-23)30(38)36-28(19-24-20-34-27-10-6-5-9-26(24)27)31(39)33-18-17-22-7-3-2-4-8-22/h2-12,14-15,20-21,28,34H,13,16-19H2,1H3,(H,33,39)(H,35,37)(H,36,38)
PubChem CID44300399
ChEMBLN/A
IUPHARN/A
BindingDB50127546
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC506400.0 nMPMID12723954BindingDB

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