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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

NameCHEMBL523773
Molecular formulaC26H25N5O
IUPAC name1-benzyl-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylbenzimidazole-2-carboxamide
Molecular weight423.52
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50264268
N-(4-(4,5-dihydro-1H-imidazol-2-yl)benzyl)-1-benzyl-N-methyl-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyZHWYOLRXGFKAQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N5O/c1-30(17-20-11-13-21(14-12-20)24-27-15-16-28-24)26(32)25-29-22-9-5-6-10-23(22)31(25)18-19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,27,28)
PubChem CID44579766
ChEMBLCHEMBL523773
IUPHARN/A
BindingDB50264268
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501016.0 nMPMID18752949BindingDB,ChEMBL

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