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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

NameCHEMBL544622
Molecular formulaC38H42N6O6
IUPAC name4-[[2-[[(E)-3-[4-(dimethylcarbamoyl)phenyl]prop-2-enoyl]amino]acetyl]-methylamino]-1-N,1-N,3-N,3-N-tetramethyl-2-[(2-methylquinolin-8-yl)oxymethyl]benzene-1,3-dicarboxamide
Molecular weight678.79
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50067927
4-({2-[(E)-3-(4-Dimethylcarbamoyl-phenyl)-acryloylamino]-acetyl}-methyl-amino)-N*1*,N*1*,N*3*,N*3*-tetramethyl-2-(2-methyl-quinolin-8-yloxymethyl)-isophthalamide; hydrochloride
CHEMBL1193249
Inchi KeyHQDLMDUXNLTVKH-RCCKNPSSSA-N
Inchi IDInChI=1S/C38H42N6O6/c1-24-12-16-26-10-9-11-31(35(26)40-24)50-23-29-28(37(48)42(4)5)19-20-30(34(29)38(49)43(6)7)44(8)33(46)22-39-32(45)21-15-25-13-17-27(18-14-25)36(47)41(2)3/h9-21H,22-23H2,1-8H3,(H,39,45)/b21-15+
PubChem CID44360617
ChEMBLN/A
IUPHARN/A
BindingDB50067927
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.9 nMPMID9804698BindingDB

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