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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

NameCHEMBL292176
Molecular formulaC27H29N5O2
IUPAC name3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[2-(pyridin-3-ylmethylamino)acetyl]amino]propanamide
Molecular weight455.562
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.1
SynonymsBDBM50127523
3-(1H-Indol-3-yl)-N-phenethyl-2-{2-[(pyridin-3-ylmethyl)-amino]-acetylamino}-propionamide
Inchi KeyCERUDGRKJUYCGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O2/c33-26(19-29-17-21-9-6-13-28-16-21)32-25(15-22-18-31-24-11-5-4-10-23(22)24)27(34)30-14-12-20-7-2-1-3-8-20/h1-11,13,16,18,25,29,31H,12,14-15,17,19H2,(H,30,34)(H,32,33)
PubChem CID44300429
ChEMBLCHEMBL292176
IUPHARN/A
BindingDB50127523
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5021.0 nMPMID12723954BindingDB,ChEMBL

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