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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

NameCHEMBL591110
Molecular formulaC20H23N5O3
IUPAC nameN-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
Molecular weight381.436
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.7
SynonymsBDBM50308987
(R)-N-(1-(1-(4-(ethylcarbamoyl)phenyl)ethylcarbamoyl)cyclopropyl)pyrimidine-5-carboxamide
Inchi KeyAIKMOFNDAYQBRB-CYBMUJFWSA-N
Inchi IDInChI=1S/C20H23N5O3/c1-3-23-17(26)15-6-4-14(5-7-15)13(2)24-19(28)20(8-9-20)25-18(27)16-10-21-12-22-11-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t13-/m1/s1
PubChem CID46229895
ChEMBLCHEMBL591110
IUPHARN/A
BindingDB50308987
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID20015645BindingDB,ChEMBL

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