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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

NameCHEMBL537683
Molecular formulaC40H42N6O5
IUPAC name4-[2-[[[(E)-3-[4-(dimethylcarbamoyl)phenyl]prop-2-enoyl]amino]methyl]pyrrol-1-yl]-1-N,1-N,3-N,3-N-tetramethyl-2-[(2-methylquinolin-8-yl)oxymethyl]benzene-1,3-dicarboxamide
Molecular weight686.813
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL1188925
BDBM50067929
4-(2-{[(E)-3-(4-Dimethylcarbamoyl-phenyl)-acryloylamino]-methyl}-pyrrol-1-yl)-N*1*,N*1*,N*3*,N*3*-tetramethyl-2-(2-methyl-quinolin-8-yloxymethyl)-isophthalamide; hydrochloride
Inchi KeyGTHGGSLNYNOZTO-CJLVFECKSA-N
Inchi IDInChI=1S/C40H42N6O5/c1-26-13-17-28-10-8-12-34(37(28)42-26)51-25-32-31(39(49)44(4)5)20-21-33(36(32)40(50)45(6)7)46-23-9-11-30(46)24-41-35(47)22-16-27-14-18-29(19-15-27)38(48)43(2)3/h8-23H,24-25H2,1-7H3,(H,41,47)/b22-16+
PubChem CID44360533
ChEMBLN/A
IUPHARN/A
BindingDB50067929
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.41 nMPMID9804698BindingDB

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