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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

NameCHEMBL492048
Molecular formulaC30H40N6O2
IUPAC name1-benzyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzimidazole-2-carboxamide
Molecular weight516.69
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50264400
1-benzyl-N-isopropyl-N-(2-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-2-oxoethyl)-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyOPQMHLKQNNIKBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H40N6O2/c1-23(2)35(22-28(37)34-19-17-33(18-20-34)25-13-15-32(3)16-14-25)30(38)29-31-26-11-7-8-12-27(26)36(29)21-24-9-5-4-6-10-24/h4-12,23,25H,13-22H2,1-3H3
PubChem CID44579850
ChEMBLCHEMBL492048
IUPHARN/A
BindingDB50264400
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50465.0 nMPMID18752949BindingDB,ChEMBL

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