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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

NameCHEMBL123124
Molecular formulaC44H63ClN3O4P
IUPAC nametributyl-[[4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl]phosphanium;chloride
Molecular weight764.429
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyBGJMHVLHQNWQEJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C44H62N3O4P.ClH/c1-7-10-28-52(29-11-8-2,30-12-9-3)33-35-22-25-38(26-23-35)45-41(48)40-31-36-20-16-17-21-37(36)32-47(40)42(49)39(46-43(50)51-44(4,5)6)27-24-34-18-14-13-15-19-34;/h13-23,25-26,39-40H,7-12,24,27-33H2,1-6H3,(H-,45,46,48,50);1H
PubChem CID44347756
ChEMBLCHEMBL123124
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
Inhibition<50.0 %Bioorg. Med. Chem. Lett., (1995) 5:4:367ChEMBL
Ki8000.0 nMBioorg. Med. Chem. Lett., (1995) 5:4:367ChEMBL

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