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GPCR

NameB2 bradykinin receptor
SpeciesHomo sapiens (Human)
GeneBDKRB2
SynonymB2R
B2BRA
BK-2 receptor
B2BKR
B2 receptor
[ Show all ]
DiseaseUnspecified
Cancer
Hereditary angioedema
Inflammatory disease
Osteoarthritis
[ Show all ]
Length391
Amino acid sequenceMFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
UniProtP30411
Protein Data BankN/A
GPCR-HGmod modelP30411
3D structure modelThis predicted structure model is from GPCR-EXP P30411.
BioLiPN/A
Therapeutic Target DatabaseT23714
ChEMBLCHEMBL3157
IUPHAR42
DrugBankBE0003513

Ligand

NameCHEMBL344021
Molecular formulaC33H34N4O6
IUPAC name4-[(E)-3-[[2-[2,4-dimethoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight582.657
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50067924
SCHEMBL8364458
4-{(E)-2-[({[2,4-Dimethoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
Inchi KeyGQOBRKVINZPHJP-LDADJPATSA-N
Inchi IDInChI=1S/C33H34N4O6/c1-21-9-13-23-7-6-8-28(31(23)36-21)43-20-25-27(41-4)17-16-26(32(25)42-5)37(3)30(39)19-35-29(38)18-12-22-10-14-24(15-11-22)33(40)34-2/h6-18H,19-20H2,1-5H3,(H,34,40)(H,35,38)/b18-12+
PubChem CID10579159
ChEMBLCHEMBL344021
IUPHARN/A
BindingDB50067924
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50210.0 nMPMID9804698BindingDB,ChEMBL

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