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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

NameCHEMBL57322
Molecular formulaC33H38N6O4
IUPAC name2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]pentanediamide
Molecular weight582.705
Hydrogen bond acceptor5
Hydrogen bond donor6
XlogP1.8
SynonymsBDBM50127533
2-(2-Amino-3-phenyl-propionylamino)-pentanedioic acid 5-amide 1-{[2-(1H-indol-3-yl)-1-phenethylcarbamoyl-ethyl]-amide}
Inchi KeyFLGOZEKGMQXOOG-CSJMBUEXSA-N
Inchi IDInChI=1S/C33H38N6O4/c34-26(19-23-11-5-2-6-12-23)31(41)38-28(15-16-30(35)40)33(43)39-29(20-24-21-37-27-14-8-7-13-25(24)27)32(42)36-18-17-22-9-3-1-4-10-22/h1-14,21,26,28-29,37H,15-20,34H2,(H2,35,40)(H,36,42)(H,38,41)(H,39,43)/t26-,28?,29?/m1/s1
PubChem CID44300537
ChEMBLN/A
IUPHARN/A
BindingDB50127533
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
EC50710.0 nMPMID12723954BindingDB

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