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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

NameCHEMBL524126
Molecular formulaC29H38N6O2
IUPAC name1-benzyl-N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzimidazole-2-carboxamide
Molecular weight502.663
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50264368
1-benzyl-N-ethyl-N-(2-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-2-oxoethyl)-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyHBBWAOOGJLRAAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38N6O2/c1-3-32(22-27(36)34-19-17-33(18-20-34)24-13-15-31(2)16-14-24)29(37)28-30-25-11-7-8-12-26(25)35(28)21-23-9-5-4-6-10-23/h4-12,24H,3,13-22H2,1-2H3
PubChem CID44579828
ChEMBLCHEMBL524126
IUPHARN/A
BindingDB50264368
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5016.0 nMPMID18752949BindingDB,ChEMBL

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