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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

NameCHEMBL487908
Molecular formulaC31H40N6O2
IUPAC name[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
Molecular weight528.701
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50264496
[1-(1-Benzyl-1H-benzoimidazole-2-carbonyl)-piperidin-4-yl]-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-methanone
Inchi KeyZBCHGVJFUSYOMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H40N6O2/c1-33-15-13-26(14-16-33)34-19-21-36(22-20-34)30(38)25-11-17-35(18-12-25)31(39)29-32-27-9-5-6-10-28(27)37(29)23-24-7-3-2-4-8-24/h2-10,25-26H,11-23H2,1H3
PubChem CID44579889
ChEMBLCHEMBL487908
IUPHARN/A
BindingDB50264496
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC504021.0 nMPMID18752949BindingDB,ChEMBL

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