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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

NameCHEMBL1762273
Molecular formulaC18H24N6O2S
IUPAC name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
Molecular weight388.49
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.2
Synonyms(+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
BDBM50340990
Inchi KeyCWSNZLKGGODPSS-NJZAAPMLSA-N
Inchi IDInChI=1S/C18H24N6O2S/c25-27(26,24-18-21-17(22-23-18)12-2-1-3-12)16-10-19-7-6-14(16)20-15-9-11-4-5-13(15)8-11/h6-7,10-13,15H,1-5,8-9H2,(H,19,20)(H2,21,22,23,24)/t11-,13+,15+/m0/s1
PubChem CID54583454
ChEMBLCHEMBL1762273
IUPHARN/A
BindingDB50340990
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity55.0 %PMID21354793ChEMBL
EC50380.0 nMPMID21354793BindingDB
EC501200.0 nMPMID21354793BindingDB,ChEMBL
EC501700.0 nMPMID21354793BindingDB
IC5068.0 nMPMID21354793BindingDB
IC50290.0 nMPMID21354793BindingDB,ChEMBL
IC50310.0 nMPMID21354793BindingDB

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