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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

NameCHEMBL1098188
Molecular formulaC20H25N7
IUPAC name5-piperidin-1-yl-7-(pyridin-2-ylmethyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
Molecular weight363.469
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50317467
5-(Piperidin-1-yl)-7-(pyridin-2-ylmethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
Inchi KeyCRLXKMQYJHQNGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N7/c21-18-17-15-7-11-26(12-14-6-2-3-8-22-14)13-16(15)20(23-19(17)25-24-18)27-9-4-1-5-10-27/h2-3,6,8H,1,4-5,7,9-13H2,(H3,21,23,24,25)
PubChem CID46887877
ChEMBLCHEMBL1098188
IUPHARN/A
BindingDB50317467
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity94.0 %PMID20371178ChEMBL
EC50346.0 nMPMID20371178BindingDB,ChEMBL

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