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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

NameCHEMBL1762257
Molecular formulaC17H22N4O3S
IUPAC name1-[4-(benzylamino)pyridin-3-yl]sulfonyl-3-tert-butylurea
Molecular weight362.448
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50340974
4-(benzylamino)-N-(tert-butylcarbamoyl)pyridine-3-sulfonamide
Inchi KeyCCBRPMFCKGSWFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22N4O3S/c1-17(2,3)20-16(22)21-25(23,24)15-12-18-10-9-14(15)19-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,19)(H2,20,21,22)
PubChem CID54586336
ChEMBLCHEMBL1762257
IUPHARN/A
BindingDB50340974
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity24.0 %PMID21354793ChEMBL
EC507500.0 nMPMID21354793BindingDB,ChEMBL
IC50<10000.0 nMPMID21354793BindingDB,ChEMBL

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