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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

NameCHEMBL1956869
Molecular formulaC34H46Cl2N5O5S+
IUPAC name3-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]propyl-trimethylazanium
Molecular weight707.732
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50419893
CHEMBL1963151
Inchi KeyBDHIAJRXXMVUAK-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H46Cl2N5O5S/c1-24-22-25(2)37-32-26(24)8-6-9-29(32)46-23-27-28(35)10-11-30(31(27)36)47(43,44)38-34(12-20-45-21-13-34)33(42)40-17-15-39(16-18-40)14-7-19-41(3,4)5/h6,8-11,22,38H,7,12-21,23H2,1-5H3/q+1
PubChem CID57393062
ChEMBLN/A
IUPHARN/A
BindingDB50419893
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID22342268BindingDB

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