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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

NameCHEMBL1094728
Molecular formulaC18H22N6
IUPAC name7-benzyl-5-N,5-N-dimethyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Molecular weight322.416
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
Synonyms7-benzyl-N5,N5-dimethyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
BDBM50317472
Inchi KeyUKKOSSBKCMUUMV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N6/c1-23(2)18-14-11-24(10-12-6-4-3-5-7-12)9-8-13(14)15-16(19)21-22-17(15)20-18/h3-7H,8-11H2,1-2H3,(H3,19,20,21,22)
PubChem CID46887826
ChEMBLCHEMBL1094728
IUPHARN/A
BindingDB50317472
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity59.0 %PMID20371178ChEMBL
EC508954.0 nMPMID20371178BindingDB,ChEMBL

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