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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

NameCHEMBL483457
Molecular formulaC26H25N5O3
IUPAC name1-benzyl-N-[2-[(4-carbamoylphenyl)methyl-methylamino]-2-oxoethyl]benzimidazole-2-carboxamide
Molecular weight455.518
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50264561
N-(2-((4-carbamoylbenzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyYUELRGJVGWBTOM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N5O3/c1-30(16-19-11-13-20(14-12-19)24(27)33)23(32)15-28-26(34)25-29-21-9-5-6-10-22(21)31(25)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H2,27,33)(H,28,34)
PubChem CID44579928
ChEMBLCHEMBL483457
IUPHARN/A
BindingDB50264561
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<5000.0 nMPMID18752949BindingDB,ChEMBL

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