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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

NameCHEMBL488983
Molecular formulaC27H28N6O2
IUPAC name1-benzyl-N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]benzimidazole-2-carboxamide
Molecular weight468.561
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50264401
SCHEMBL14262514
1-benzyl-N-(3-oxo-3-(4-(pyridin-4-yl)piperazin-1-yl)propyl)-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyMHYUUICKMXQDMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6O2/c34-25(32-18-16-31(17-19-32)22-10-13-28-14-11-22)12-15-29-27(35)26-30-23-8-4-5-9-24(23)33(26)20-21-6-2-1-3-7-21/h1-11,13-14H,12,15-20H2,(H,29,35)
PubChem CID24946437
ChEMBLCHEMBL488983
IUPHARN/A
BindingDB50264401
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50962.0 nMPMID18752949BindingDB,ChEMBL

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