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GPCR

NameBombesin receptor subtype-3
SpeciesHomo sapiens (Human)
GeneBRS3
Synonymbombesin receptor subtype-3
BRS-3
bombesin like receptor 3
BB3 receptor
bb3
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

NameBombesin(7-13)
Molecular formulaC38H56N12O8
IUPAC name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
Molecular weight808.942
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-0.8
SynonymsCHEMBL144197
Inchi KeyWOMKBSQDYHBBCL-KWFCFTPKSA-N
Inchi IDInChI=1S/C38H56N12O8/c1-19(2)12-27(33(41)53)48-37(57)29(14-23-16-42-18-45-23)47-31(52)17-44-38(58)32(20(3)4)50-34(54)21(5)46-36(56)28(49-35(55)25(39)10-11-30(40)51)13-22-15-43-26-9-7-6-8-24(22)26/h6-9,15-16,18-21,25,27-29,32,43H,10-14,17,39H2,1-5H3,(H2,40,51)(H2,41,53)(H,42,45)(H,44,58)(H,46,56)(H,47,52)(H,48,57)(H,49,55)(H,50,54)/t21-,25-,27-,28-,29-,32-/m0/s1
PubChem CID10557335
ChEMBLCHEMBL144197
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition3.6 %PMID10579854ChEMBL

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