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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

NameCHEMBL540895
Molecular formulaC39H60N4OP+
IUPAC name[4-[[(2S)-2-[bis(propan-2-ylamino)methylideneamino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl-tributylphosphanium
Molecular weight631.91
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP8.7
SynonymsBDBM50286380
2-(N'',N''''-Diisopropyl-guanidino)-3-naphthalen-2-yl-N-[4-(tributyl-lambda*5*-phosphanylmethyl)-phenyl]-propionamide; chloride
CHEMBL1190473
Inchi KeyCJUJGSVHEABMSQ-QNGWXLTQSA-O
Inchi IDInChI=1S/C39H59N4OP/c1-8-11-24-45(25-12-9-2,26-13-10-3)29-32-19-22-36(23-20-32)42-38(44)37(43-39(40-30(4)5)41-31(6)7)28-33-18-21-34-16-14-15-17-35(34)27-33/h14-23,27,30-31,37H,8-13,24-26,28-29H2,1-7H3,(H2-,40,41,42,43,44)/p+1/t37-/m0/s1
PubChem CID44346679
ChEMBLN/A
IUPHARN/A
BindingDB50286380
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki7050.0 nMN/ABindingDB

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