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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

NameCHEMBL542598
Molecular formulaC36H31Cl3N8O4
IUPAC name4-[[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-pyridin-4-ylbenzamide;hydrochloride
Molecular weight746.046
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyBILOSQNGCXHUNO-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H30Cl2N8O4.ClH/c1-22-18-30(46-17-16-40-21-46)26-4-3-5-31(34(26)42-22)50-20-27-28(37)10-11-29(33(27)38)45(2)32(47)19-41-36(49)44-24-8-6-23(7-9-24)35(48)43-25-12-14-39-15-13-25;/h3-18,21H,19-20H2,1-2H3,(H,39,43,48)(H2,41,44,49);1H
PubChem CID45259970
ChEMBLCHEMBL542598
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
IC500.23 nMPMID15027853ChEMBL

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