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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

NameCHEMBL1956868
Molecular formulaC33H44Cl2N5O5S+
IUPAC name2-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]ethyl-trimethylazanium
Molecular weight693.705
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50419892
CHEMBL1963652
Inchi KeyCQMRANUGVLVLSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H44Cl2N5O5S/c1-23-21-24(2)36-31-25(23)7-6-8-28(31)45-22-26-27(34)9-10-29(30(26)35)46(42,43)37-33(11-19-44-20-12-33)32(41)39-15-13-38(14-16-39)17-18-40(3,4)5/h6-10,21,37H,11-20,22H2,1-5H3/q+1
PubChem CID57391277
ChEMBLN/A
IUPHARN/A
BindingDB50419892
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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