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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

NameCHEMBL1762245
Molecular formulaC16H24N4O3S
IUPAC name1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]pyridin-3-yl]sulfonyl-3-propan-2-ylurea
Molecular weight352.453
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50340969
ZINC19815469
(+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(isopropylcarbamoyl)pyridine-3-sulfonamide
Inchi KeyKUUDCXGUWLYZPK-OUCADQQQSA-N
Inchi IDInChI=1S/C16H24N4O3S/c1-10(2)18-16(21)20-24(22,23)15-9-17-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)/t11-,12+,14+/m0/s1
PubChem CID1214469
ChEMBLCHEMBL1762245
IUPHARN/A
BindingDB50340969
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity86.0 %PMID21354793ChEMBL
EC50440.0 nMPMID21354793BindingDB,ChEMBL
IC50510.0 nMPMID21354793BindingDB,ChEMBL

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