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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameCHEMBL561839
Molecular formulaC21H18Cl2N4O
IUPAC name8-[(3,5-dichloropyridin-4-yl)methoxy]-4-(1,5-dimethylimidazol-2-yl)-2-methylquinoline
Molecular weight413.302
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
Synonyms8-(3,5-dichloro-pyridin-4-ylmethoxy)-4-(1,5-dimethyl-1H-imidazol-2-yl)-2-methylquinoline
BDBM50293865
SCHEMBL12712269
Inchi KeyBZPSIAUYWXREOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18Cl2N4O/c1-12-7-15(21-25-8-13(2)27(21)3)14-5-4-6-19(20(14)26-12)28-11-16-17(22)9-24-10-18(16)23/h4-10H,11H2,1-3H3
PubChem CID44191224
ChEMBLCHEMBL561839
IUPHARN/A
BindingDB50293865
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50200.0 nMPMID19552431BindingDB,ChEMBL
IC503400.0 nMPMID19552431BindingDB,ChEMBL

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