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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

NameCHEMBL484469
Molecular formulaC29H40N6O
IUPAC name2-[(1-benzylbenzimidazol-2-yl)methyl-ethylamino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
Molecular weight488.68
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50264560
2-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-ethyl-amino]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanone
Inchi KeyFLGLCLDVIXXHPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H40N6O/c1-3-32(23-29(36)34-19-17-33(18-20-34)25-13-15-31(2)16-14-25)22-28-30-26-11-7-8-12-27(26)35(28)21-24-9-5-4-6-10-24/h4-12,25H,3,13-23H2,1-2H3
PubChem CID44579927
ChEMBLCHEMBL484469
IUPHARN/A
BindingDB50264560
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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