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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

NameCHEMBL1096819
Molecular formulaC19H30N6
IUPAC name7-(2,2-dimethylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
Molecular weight342.491
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50317459
7-neopentyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
Inchi KeyZYPFDZVGEMPHMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H30N6/c1-19(2,3)12-24-10-7-13-14(11-24)18(25-8-5-4-6-9-25)21-17-15(13)16(20)22-23-17/h4-12H2,1-3H3,(H3,20,21,22,23)
PubChem CID46887949
ChEMBLCHEMBL1096819
IUPHARN/A
BindingDB50317459
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity91.0 %PMID20371178ChEMBL
EC501057.0 nMPMID20371178BindingDB,ChEMBL

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