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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

NameCHEMBL292227
Molecular formulaC30H34N4O2
IUPAC name3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[2-(2-phenylethylamino)propanoylamino]propanamide
Molecular weight482.628
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP4.2
SynonymsBDBM50127531
N-[2-(1H-Indol-3-yl)-1-phenethylcarbamoyl-ethyl]-2-phenethylamino-propionamide
Inchi KeyCVEMWPNQHFKFCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34N4O2/c1-22(31-18-16-23-10-4-2-5-11-23)29(35)34-28(20-25-21-33-27-15-9-8-14-26(25)27)30(36)32-19-17-24-12-6-3-7-13-24/h2-15,21-22,28,31,33H,16-20H2,1H3,(H,32,36)(H,34,35)
PubChem CID44300357
ChEMBLN/A
IUPHARN/A
BindingDB50127531
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5025.0 nMPMID12723954BindingDB

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