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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

NameCHEMBL554255
Molecular formulaC42H68ClN4OP
IUPAC nametributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-4-phenylbutanoyl]amino]phenyl]methyl]phosphanium;chloride
Molecular weight711.457
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyCGVTYHHLOZFNLZ-LMDYQTDMSA-N
Inchi IDInChI=1S/C42H67N4OP.ClH/c1-4-7-31-48(32-8-5-2,33-9-6-3)34-36-25-28-39(29-26-36)43-41(47)40(30-27-35-19-13-10-14-20-35)46-42(44-37-21-15-11-16-22-37)45-38-23-17-12-18-24-38;/h10,13-14,19-20,25-26,28-29,37-38,40H,4-9,11-12,15-18,21-24,27,30-34H2,1-3H3,(H2-,43,44,45,46,47);1H/t40-;/m0./s1
PubChem CID45266131
ChEMBLCHEMBL554255
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
Ki4650.0 nMBioorg. Med. Chem. Lett., (1995) 5:4:357ChEMBL

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