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GPCR

NameB1 bradykinin receptor
SpeciesHomo sapiens (Human)
GeneBDKRB1
Synonymkinin B1 receptor
bradykinin receptor
BKR1
BK-1 receptor
B1R
[ Show all ]
DiseaseDiabetic macular edema
Rheumatoid arthritis
Pain
Osteoarthritis
Length353
Amino acid sequenceMASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
UniProtP46663
Protein Data BankN/A
GPCR-HGmod modelP46663
3D structure modelThis predicted structure model is from GPCR-EXP P46663.
BioLiPN/A
Therapeutic Target DatabaseT58589
ChEMBLCHEMBL4308
IUPHAR41
DrugBankBE0005831

Ligand

NameCHEMBL2087036
Molecular formulaC23H26Cl2N4O3S
IUPAC name(E)-4-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylbut-2-enamide
Molecular weight509.446
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50420594
SCHEMBL4033888
Inchi KeyBJHLXUFUYYMYHT-SNAWJCMRSA-N
Inchi IDInChI=1S/C23H26Cl2N4O3S/c1-16-19(24)10-11-20(22(16)25)33(31,32)29(3)14-4-5-21(30)28(2)15-17-6-8-18(9-7-17)23-26-12-13-27-23/h4-11H,12-15H2,1-3H3,(H,26,27)/b5-4+
PubChem CID12085131
ChEMBLCHEMBL2087036
IUPHARN/A
BindingDB50420594
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki12.0 nMPMID22369198BindingDB,ChEMBL
pKb8.7 -PMID22369198ChEMBL

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