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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

NameCHEMBL485284
Molecular formulaC25H27N5O4
IUPAC name1-benzyl-N-[3-oxo-3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propyl]benzimidazole-2-carboxamide
Molecular weight461.522
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50264714
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [3-oxo-3-(2-oxo-1-oxa-3,8-diaza-spiro[4.5]dec-8-yl)-propyl]-amide
Inchi KeyYBUDOEGVUAQVQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N5O4/c31-21(29-14-11-25(12-15-29)17-27-24(33)34-25)10-13-26-23(32)22-28-19-8-4-5-9-20(19)30(22)16-18-6-2-1-3-7-18/h1-9H,10-17H2,(H,26,32)(H,27,33)
PubChem CID44580045
ChEMBLCHEMBL485284
IUPHARN/A
BindingDB50264714
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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