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GPCR

NameB1 bradykinin receptor
SpeciesRattus norvegicus (Rat)
GeneBdkrb1
SynonymKB1
bradykinin receptor
BKR1
BK-1 receptor
B1R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length337
Amino acid sequenceMASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL
UniProtP97583
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4613
IUPHAR41
DrugBankN/A

Ligand

NameCHEMBL490201
Molecular formulaC28H28N6O2
IUPAC name1-benzyl-N-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl-methylamino]-2-oxoethyl]benzimidazole-2-carboxamide
Molecular weight480.572
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50264298
N-(2-((4-(4,5-dihydro-1H-imidazol-2-yl)benzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide
SCHEMBL14262700
Inchi KeySHKZPYVPIUETPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28N6O2/c1-33(18-21-11-13-22(14-12-21)26-29-15-16-30-26)25(35)17-31-28(36)27-32-23-9-5-6-10-24(23)34(27)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,29,30)(H,31,36)
PubChem CID44579795
ChEMBLCHEMBL490201
IUPHARN/A
BindingDB50264298
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50155.0 nMPMID18752949BindingDB,ChEMBL

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