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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 formulaC39H60ClN4OP
IUPAC name[4-[[(2S)-2-[bis(propan-2-ylamino)methylideneamino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl-tributylphosphanium;chloride
Molecular weight667.36
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyADCJJDDAVRCHJB-JFRIYMKVSA-N
Inchi IDInChI=1S/C39H59N4OP.ClH/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);1H/t37-;/m0./s1
PubChem CID45266127
ChEMBLCHEMBL540895
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
Ki7050.0 nMBioorg. Med. Chem. Lett., (1995) 5:4:357ChEMBL

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