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GPCR

NameBombesin receptor subtype-3
SpeciesRattus norvegicus (Rat)
GeneBrs3
Synonymbb3
BB3 receptor
bombesin like receptor 3
bombesin receptor subtype-3
BRS-3
DiseaseN/A for non-human GPCRs
Length399
Amino acid sequenceMSQRQPQSPNQTLISITNDTETSSSAVSNDTTPKGWTGDNSPGIEALCAIYITYAVIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGKVGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPSNAILKTCAKAGGIWIMAMIFALPEAIFSNVYTFQDPNRNVTFESCNSYPISERLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIAKTVLVLVALFALCWLPNHLLYLYHSFTYESYAEPSDVPFVVTIFSRVLAFSNSCVNPFALYWLSKTFQKHFKAQLCCFKAEQPEPPLGDTPLNNLTVMGRVPATGSAHVSEISVTLFSGSTAKKGEDKV
UniProtQ8K418
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075111
IUPHAR40
DrugBankN/A

Ligand

NameCHEMBL1098837
Molecular formulaC27H36N6O
IUPAC nameN-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)-3,3-dimethylbutanamide
Molecular weight460.626
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50317452
N-(7-Benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)-3,3-dimethylbutanamide
Inchi KeyWBNUUTHVNVJVKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H36N6O/c1-27(2,3)16-22(34)28-24-23-20-12-15-32(17-19-10-6-4-7-11-19)18-21(20)26(29-25(23)31-30-24)33-13-8-5-9-14-33/h4,6-7,10-11H,5,8-9,12-18H2,1-3H3,(H2,28,29,30,31,34)
PubChem CID46888018
ChEMBLCHEMBL1098837
IUPHARN/A
BindingDB50317452
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity93.0 %PMID20371178ChEMBL
EC50433.0 nMPMID20371178BindingDB,ChEMBL

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