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GPCR

NameB1 bradykinin receptor
SpeciesHomo sapiens (Human)
GeneBDKRB1
Synonymkinin B1 receptor
bradykinin receptor
BKR1
BK-1 receptor
B1R
[ Show all ]
DiseaseDiabetic macular edema
Rheumatoid arthritis
Pain
Osteoarthritis
Length353
Amino acid sequenceMASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
UniProtP46663
Protein Data BankN/A
GPCR-HGmod modelP46663
3D structure modelThis predicted structure model is from GPCR-EXP P46663.
BioLiPN/A
Therapeutic Target DatabaseT58589
ChEMBLCHEMBL4308
IUPHAR41
DrugBankBE0005831

Ligand

NameCHEMBL196494
Molecular formulaC24H23F3N4O2
IUPAC nameN-methyl-2-[4-[[[4-methyl-3-(3,3,3-trifluoropropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzamide
Molecular weight456.469
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50165829
4''-{[4-Methyl-3-(3,3,3-trifluoro-propionylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methylamide
Inchi KeyCBZLVCMFXUKNPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23F3N4O2/c1-15-11-12-29-22(21(15)31-20(32)13-24(25,26)27)30-14-16-7-9-17(10-8-16)18-5-3-4-6-19(18)23(33)28-2/h3-12H,13-14H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)
PubChem CID44402076
ChEMBLCHEMBL196494
IUPHARN/A
BindingDB50165829
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11.0 nMPMID15837330BindingDB,ChEMBL

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