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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

NameCHEMBL550142
Molecular formulaC19H13Cl2N3OS
IUPAC name5-[8-[(3,5-dichloropyridin-4-yl)methoxy]-2-methylquinolin-4-yl]-1,3-thiazole
Molecular weight402.293
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50293873
SCHEMBL13145825
5-(8-((3,5-dichloropyridin-4-yl)methoxy)-2-methylquinolin-4-yl)thiazole
Inchi KeyBTMKNAFNOUAPOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13Cl2N3OS/c1-11-5-13(18-8-23-10-26-18)12-3-2-4-17(19(12)24-11)25-9-14-15(20)6-22-7-16(14)21/h2-8,10H,9H2,1H3
PubChem CID44189792
ChEMBLCHEMBL550142
IUPHARN/A
BindingDB50293873
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50135.0 nMPMID19552431BindingDB,ChEMBL
IC50420.0 nMPMID19552431BindingDB,ChEMBL

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