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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

NameCHEMBL553315
Molecular formulaC43H43ClN6O5
IUPAC name(E)-N-[[1-[3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-oxopyrrolidin-1-yl)phenyl]pyrrol-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
Molecular weight759.304
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyFELHVZRTSZIUKF-YHLMHSEJSA-N
Inchi IDInChI=1S/C43H42N6O5.ClH/c1-29-13-17-31-7-2-9-37(42(31)45-29)54-28-34-35(48-25-5-11-40(48)52)20-21-36(43(34)49-26-6-12-41(49)53)46-23-3-8-33(46)27-44-38(50)22-16-30-14-18-32(19-15-30)47-24-4-10-39(47)51;/h2-3,7-9,13-23H,4-6,10-12,24-28H2,1H3,(H,44,50);1H/b22-16+;
PubChem CID45262256
ChEMBLCHEMBL553315
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC500.41 nMPMID9804698ChEMBL

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