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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

NameCHEMBL1939763
Molecular formulaC22H23N3O4S
IUPAC nameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
Molecular weight425.503
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.8
SynonymsSCHEMBL3541706
BDBM50362358
Inchi KeyAKDPJIDFZBYISG-WOJBJXKFSA-N
Inchi IDInChI=1S/C22H23N3O4S/c1-15-6-9-17(10-7-15)30(28,29)25-13-12-23-22(27)20(25)14-21(26)24-19-11-8-16-4-2-3-5-18(16)19/h2-7,9-10,12-13,19-20H,8,11,14H2,1H3,(H,23,27)(H,24,26)/t19-,20-/m1/s1
PubChem CID57395450
ChEMBLCHEMBL1939763
IUPHARN/A
BindingDB50362358
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5094.7 nMPMID22197141BindingDB,ChEMBL

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