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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

NameCHEMBL489808
Molecular formulaC25H22N6O2
IUPAC name1-benzyl-N-[3-(1H-indazol-6-ylamino)-3-oxopropyl]benzimidazole-2-carboxamide
Molecular weight438.491
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.1
SynonymsBDBM50264399
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [2-(1H-indazol-6-ylcarbamoyl)-ethyl]-amide
Inchi KeyWGNIFJICFCFWKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N6O2/c32-23(28-19-11-10-18-15-27-30-21(18)14-19)12-13-26-25(33)24-29-20-8-4-5-9-22(20)31(24)16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2,(H,26,33)(H,27,30)(H,28,32)
PubChem CID44579849
ChEMBLCHEMBL489808
IUPHARN/A
BindingDB50264399
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50524.0 nMPMID18752949BindingDB,ChEMBL

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