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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

NameCHEMBL453338
Molecular formulaC31H38N2O4S
IUPAC name(2R)-2-methoxy-4-naphthalen-2-ylsulfonyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
Molecular weight534.715
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL5950723
ANZZTPCLLZBEDB-LOYHVIPDSA-N
BDBM50244565
(R)-2-methoxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6-(piperidin-1-yl-methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
(R)-2-methoxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
Inchi KeyANZZTPCLLZBEDB-LOYHVIPDSA-N
Inchi IDInChI=1S/C31H38N2O4S/c1-37-30(16-19-38(35,36)27-14-13-24-8-3-4-9-25(24)21-27)31(34)32-29-11-7-10-26-20-23(12-15-28(26)29)22-33-17-5-2-6-18-33/h3-4,8-9,12-15,20-21,29-30H,2,5-7,10-11,16-19,22H2,1H3,(H,32,34)/t29-,30-/m1/s1
PubChem CID11555599
ChEMBLCHEMBL453338
IUPHARN/A
BindingDB50244565
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5079.0 nMPMID18706809BindingDB,ChEMBL
Ki169.0 nMPMID18706809BindingDB,ChEMBL

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