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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

NameCHEMBL1088553
Molecular formulaC23H31N5
IUPAC name7-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
Molecular weight377.536
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.6
Synonyms7-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine
BDBM50316908
SCHEMBL3516170
Inchi KeyBZQGYQLMMTVEDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5/c1-4-23(2,3)14-19-16-24-21(26-19)12-9-17-7-10-20(11-8-17)28-13-5-6-18-15-25-27-22(18)28/h7-8,10-11,15-16H,4-6,9,12-14H2,1-3H3,(H,24,26)(H,25,27)
PubChem CID25026058
ChEMBLCHEMBL1088553
IUPHARN/A
BindingDB50316908
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity101.0 %PMID20347296ChEMBL
EC5042.0 nMPMID20347296BindingDB,ChEMBL
IC5018.0 nMPMID20347296BindingDB,ChEMBL

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