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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

NameCHEMBL470693
Molecular formulaC21H17ClN2O4S
IUPAC nameN-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide
Molecular weight428.887
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
Synonyms827577-01-5
Acetamide, N-[4-[[[2-(3-chlorobenzoyl)phenyl]amino]sulfonyl]phenyl]-
AKOS030565335
BDBM50242841
CTK3D6693
[ Show all ]
Inchi KeyAVEOUUKYCPBIQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17ClN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25)
PubChem CID24895114
ChEMBLCHEMBL470693
IUPHARN/A
BindingDB50242841
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki108.0 nMPMID18553956BindingDB,ChEMBL

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