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GPCR

NameBombesin receptor subtype-3
SpeciesHomo sapiens (Human)
GeneBRS3
Synonymbb3
BRS-3
bombesin receptor subtype-3
BB3 receptor
bombesin like receptor 3
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

NameCHEMBL1762259
Molecular formulaC19H24N4O3S
IUPAC name1-tert-butyl-3-[4-(2,3-dihydro-1H-inden-1-ylamino)pyridin-3-yl]sulfonylurea
Molecular weight388.486
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50340976
(+/-)-N-(tert-butylcarbamoyl)-4-(2,3-dihydro-1H-inden-1-ylamino)pyridine-3-sulfonamide
Inchi KeyGHEZILJZCGFHBE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N4O3S/c1-19(2,3)22-18(24)23-27(25,26)17-12-20-11-10-16(17)21-15-9-8-13-6-4-5-7-14(13)15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,21)(H2,22,23,24)
PubChem CID54583450
ChEMBLCHEMBL1762259
IUPHARN/A
BindingDB50340976
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity39.0 %PMID21354793ChEMBL
EC506800.0 nMPMID21354793BindingDB,ChEMBL
IC503800.0 nMPMID21354793BindingDB,ChEMBL

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