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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

NameCHEMBL491829
Molecular formulaC27H28N6O2
IUPAC name1-benzyl-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide
Molecular weight468.561
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50264330
SCHEMBL14262500
1-benzyl-N-methyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyIGIPWYYCYCUTSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6O2/c1-30(20-25(34)32-17-15-31(16-18-32)22-11-13-28-14-12-22)27(35)26-29-23-9-5-6-10-24(23)33(26)19-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3
PubChem CID24946441
ChEMBLCHEMBL491829
IUPHARN/A
BindingDB50264330
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501176.0 nMPMID18752949BindingDB,ChEMBL

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