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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

NameCHEMBL2179483
Molecular formulaC25H26F3N3O2S
IUPAC name6-(4-tert-butylphenyl)sulfonyl-9,10-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Molecular weight489.557
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50400260
Inchi KeyBZQDBUAGZAQOPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)30-23-17(7-13-21(29-23)25(26,27)28)14-31(20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)
PubChem CID71451943
ChEMBLCHEMBL2179483
IUPHARN/A
BindingDB50400260
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID24900283BindingDB,ChEMBL
Inhibition80.0 %PMID24900283ChEMBL

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