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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

NameCHEMBL564841
Molecular formulaC24H24ClN5O2S
IUPAC name2-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-3-yl]sulfanyl-N,N-dimethylacetamide
Molecular weight481.999
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50293886
SCHEMBL13145163
2-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylsulfanyl}-N,N-dimethyl-acetamide
Inchi KeyBKFZIYZKRHILKM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24ClN5O2S/c1-15-10-17(20-8-9-27-30(20)4)16-6-5-7-21(24(16)28-15)32-13-18-19(25)11-26-12-22(18)33-14-23(31)29(2)3/h5-12H,13-14H2,1-4H3
PubChem CID44190753
ChEMBLCHEMBL564841
IUPHARN/A
BindingDB50293886
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC507.5 nMPMID19552431BindingDB,ChEMBL
IC5024.0 nMPMID19552431BindingDB,ChEMBL

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