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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

NameCHEMBL1762250
Molecular formulaC18H28N4O3S
IUPAC name1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]pyridin-3-yl]sulfonyl-3-(2-methylbutan-2-yl)urea
Molecular weight380.507
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50340964
(+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(tert-pentylcarbamoyl)pyridine-3-sulfonamide
Inchi KeyGLDQUPKNVVPTGP-GZBFAFLISA-N
Inchi IDInChI=1S/C18H28N4O3S/c1-4-18(2,3)21-17(23)22-26(24,25)16-11-19-8-7-14(16)20-15-10-12-5-6-13(15)9-12/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,19,20)(H2,21,22,23)/t12-,13+,15+/m0/s1
PubChem CID54580461
ChEMBLCHEMBL1762250
IUPHARN/A
BindingDB50340964
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity105.0 %PMID21354793ChEMBL
EC5051.0 nMPMID21354793BindingDB,ChEMBL
IC5075.0 nMPMID21354793BindingDB,ChEMBL

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