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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

NameCHEMBL222156
Molecular formulaC35H45Cl2N7O5S
IUPAC name2-[6-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-6-oxohexyl]guanidine
Molecular weight746.749
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50411266
SCHEMBL4060300
Inchi KeyBQIHVDDBUCQADT-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H45Cl2N7O5S/c1-23-21-24(2)41-32-25(23)9-8-10-28(32)49-22-26-27(36)12-13-29(31(26)37)50(47,48)42-35(14-5-6-15-35)33(46)44-19-17-43(18-20-44)30(45)11-4-3-7-16-40-34(38)39/h8-10,12-13,21,42H,3-7,11,14-20,22H2,1-2H3,(H4,38,39,40)
PubChem CID10441194
ChEMBLCHEMBL222156
IUPHARN/A
BindingDB50411266
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki>10000.0 nMPMID17266207ChEMBL

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