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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

NameCHEMBL491830
Molecular formulaC28H30N6O2
IUPAC name1-benzyl-N-ethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide
Molecular weight482.588
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50264332
1-benzyl-N-ethyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyNUWALMDPKZLJTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N6O2/c1-2-31(21-26(35)33-18-16-32(17-19-33)23-12-14-29-15-13-23)28(36)27-30-24-10-6-7-11-25(24)34(27)20-22-8-4-3-5-9-22/h3-15H,2,16-21H2,1H3
PubChem CID44579812
ChEMBLCHEMBL491830
IUPHARN/A
BindingDB50264332
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50278.0 nMPMID18752949BindingDB,ChEMBL

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