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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

NameCHEMBL132510
Molecular formulaC31H31Cl2N5O5
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
Molecular weight624.519
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50067297
SCHEMBL7965362
4-{(E)-2-[({[2,4-Dichloro-3-(2-methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide
Inchi KeyAZGZSEGUTUYBMW-LFIBNONCSA-N
Inchi IDInChI=1S/C31H31Cl2N5O5/c1-36(2)30(41)20-12-9-19(10-13-20)11-16-26(39)34-17-27(40)37(3)23-15-14-22(32)21(28(23)33)18-43-25-8-6-7-24-29(25)35-31(42-5)38(24)4/h6-16H,17-18H2,1-5H3,(H,34,39)/b16-11+
PubChem CID10627732
ChEMBLCHEMBL132510
IUPHARN/A
BindingDB50067297
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5014.0 nMPMID9767643BindingDB,ChEMBL

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