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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

NameCHEMBL3144496
Molecular formulaC33H37N5O3
IUPAC name(2S)-3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[(2S)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]amino]propanoyl]amino]propanamide
Molecular weight551.691
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP3.8
SynonymsN/A
Inchi KeyCFKSTPUYLNWQPP-WWFTWHPHSA-N
Inchi IDInChI=1S/C33H37N5O3/c1-22(37-31(39)20-29-26-12-6-5-11-24(26)16-18-34-29)32(40)38-30(19-25-21-36-28-14-8-7-13-27(25)28)33(41)35-17-15-23-9-3-2-4-10-23/h2-14,21-22,29-30,34,36H,15-20H2,1H3,(H,35,41)(H,37,39)(H,38,40)/t22-,29?,30-/m0/s1
PubChem CID90663963
ChEMBLCHEMBL3144496
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50310.0 nMPMID12723954ChEMBL

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