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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

NameCHEMBL522438
Molecular formulaC28H35N5O2
IUPAC name1-benzyl-N-[3-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-oxopropyl]benzimidazole-2-carboxamide
Molecular weight473.621
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50264680
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [3-(9-methyl-3,9-diaza-spiro[5.5]undec-3-yl)-3-oxo-propyl]-amide
Inchi KeyHWZDSHWAPUQVMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35N5O2/c1-31-17-12-28(13-18-31)14-19-32(20-15-28)25(34)11-16-29-27(35)26-30-23-9-5-6-10-24(23)33(26)21-22-7-3-2-4-8-22/h2-10H,11-21H2,1H3,(H,29,35)
PubChem CID44580015
ChEMBLCHEMBL522438
IUPHARN/A
BindingDB50264680
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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