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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

NameCHEMBL380260
Molecular formulaC27H32Cl2N4O4S
IUPAC name2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]-2-methyl-N-(piperidin-4-ylmethyl)propanamide
Molecular weight579.537
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.5
SynonymsN/A
Inchi KeyAGMPLVXUBKEAQK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32Cl2N4O4S/c1-17-7-8-19-5-4-6-22(25(19)32-17)37-16-20-21(28)9-10-23(24(20)29)38(35,36)33-27(2,3)26(34)31-15-18-11-13-30-14-12-18/h4-10,18,30,33H,11-16H2,1-3H3,(H,31,34)
PubChem CID11549335
ChEMBLCHEMBL380260
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.5 nMPMID16759102ChEMBL

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