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GPCR

NameB1 bradykinin receptor
SpeciesMus musculus (Mouse)
GeneBdkrb1
Synonymbradykinin receptor
BKR1
BK-1 receptor
B1R
B1BKR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length334
Amino acid sequenceMASQASLKLQPSNQSQQAPPNITSCEGAPEAWDLLCRVLPGFVITVCFFGLLGNLLVLSFFLLPWRRWWQQRRQRLTIAEIYLANLAASDLVFVLGLPFWAENVGNRFNWPFGSDLCRVVSGVIKANLFISIFLVVAISQDRYRLLVYPMTSWGNRRRRQAQVTCLLIWVAGGLLSTPTFLLRSVKVVPDLNISACILLFPHEAWHFVRMVELNVLGFLLPLAAILYFNFHILASLRGQKEASRTRCGGPKDSKTMGLILTLVASFLVCWAPYHFFAFLDFLVQVRVIQDCFWKELTDLGLQLANFFAFVNSCLNPLIYVFAGRLFKTRVLGTL
UniProtQ61125
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1250407
IUPHAR41
DrugBankN/A

Ligand

NameCHEMBL2087410
Molecular formulaC24H32N4O5S
IUPAC nameN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2-methylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
Molecular weight488.603
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.2
SynonymsSCHEMBL4036844
BDBM50420596
Inchi KeyDQWSFMHZKZGDJV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4O5S/c1-18-15-21(32-4)9-10-22(18)34(30,31)28(3)13-14-33-17-23(29)27(2)16-19-5-7-20(8-6-19)24-25-11-12-26-24/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,26)
PubChem CID57342847
ChEMBLCHEMBL2087410
IUPHARN/A
BindingDB50420596
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb6.9 -PMID22369198ChEMBL

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