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GPCR

NameB1 bradykinin receptor
SpeciesMacaca fascicularis (Crab-eating macaque)
GeneBDKRB1
SynonymB1R
BK-1 receptor
DiseaseN/A for non-human GPCRs
Length352
Amino acid sequenceMASWPPLQLQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICSFGLLGNLFVLLVFLLPRRRLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGIIKANLFISIFLVVAISQDRYCVLVHPMASRRRQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILAFLLPLAAIIFFNYHILASLRGREEVSRTRCGGSKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFLAFTNSSLNPVIYVFAGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
UniProtQ3BCU0
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5155
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL489807
Molecular formulaC29H32N6O2
IUPAC name1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-N-propan-2-ylbenzimidazole-2-carboxamide
Molecular weight496.615
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50264398
1-benzyl-N-isopropyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyIUXMWEONGIFJKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N6O2/c1-22(2)34(21-27(36)33-18-16-32(17-19-33)24-12-14-30-15-13-24)29(37)28-31-25-10-6-7-11-26(25)35(28)20-23-8-4-3-5-9-23/h3-15,22H,16-21H2,1-2H3
PubChem CID44579848
ChEMBLCHEMBL489807
IUPHARN/A
BindingDB50264398
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<5000.0 nMPMID18752949BindingDB,ChEMBL

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