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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

NameMK-5046
Molecular formulaC20H18F6N4O
IUPAC name(2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
Molecular weight444.381
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL3499662
(S)-2-(4-(1H-pyrazol-1-yl)phenyl)-1,1,1-trifluoro-3-(5-((1-(trifluoromethyl)cyclopropyl)methyl)-1H-imidazol-2-yl)propan-2-ol
BCP23816
KB-333518
1H-Imidazole-2-ethanol, a-[4-(1H-pyrazol-1-yl)phenyl]-a-(trifluoromethyl)-5-[[1-(trifluoromethyl)cyclopropyl]methyl]-, (aS)-;1H-Imidazole-2-ethanol, a-[4-(1H-pyrazol-1-yl)phenyl]-a-(trifluoromethyl)-5-[[1-(trifluoromethyl)cyclopropyl]methyl]-, (aS)-
[ Show all ]
Inchi KeyUJINBEQCDMOAHM-SFHVURJKSA-N
Inchi IDInChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
PubChem CID49871766
ChEMBLCHEMBL1672354
IUPHAR6170
BindingDB50336889
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502.2 nMPMID24900253BindingDB,ChEMBL
Emax110.0 %PMID24900253ChEMBL
IC501.2 nMPMID24900253ChEMBL
Ki0.6 nMPMID24900253BindingDB
Ki0.6 nMPMID24900253ChEMBL

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