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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

NameCHEMBL98292
Molecular formulaC32H32Cl2N6O7
IUPAC nameethyl 2-[4-[[3-[[2-[[(E)-3-(6-acetamidopyridin-3-yl)prop-2-enoyl]amino]acetyl]-methylamino]-2,6-dichlorophenyl]methoxy]-2-methoxybenzimidazol-1-yl]acetate
Molecular weight683.543
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
Synonyms{4-[3-({2-[(E)-3-(6-Acetylamino-pyridin-3-yl)-acryloylamino]-acetyl}-methyl-amino)-2,6-dichloro-benzyloxy]-2-methoxy-benzoimidazol-1-yl}-acetic acid ethyl ester
BDBM50146897
SCHEMBL8011552
SCHEMBL8011555
Inchi KeyBWZHFTDQCVFPBD-GXDHUFHOSA-N
Inchi IDInChI=1S/C32H32Cl2N6O7/c1-5-46-29(44)17-40-24-7-6-8-25(31(24)38-32(40)45-4)47-18-21-22(33)11-12-23(30(21)34)39(3)28(43)16-36-27(42)14-10-20-9-13-26(35-15-20)37-19(2)41/h6-15H,5,16-18H2,1-4H3,(H,36,42)(H,35,37,41)/b14-10+
PubChem CID11422541
ChEMBLCHEMBL98292
IUPHARN/A
BindingDB50146897
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.91 nMPMID15139763BindingDB
IC500.91 nMPMID15139763ChEMBL
IC504.2 nMPMID15139763BindingDB

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