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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

NameCHEMBL485080
Molecular formulaC27H33N5O2
IUPAC name1-benzyl-N-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzimidazole-2-carboxamide
Molecular weight459.594
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50264713
SCHEMBL14262676
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [3-(2-methyl-2,8-diaza-spiro[4.5]dec-8-yl)-3-oxo-propyl]-amide
Inchi KeyNEBCXDAIFKXQPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33N5O2/c1-30-16-12-27(20-30)13-17-31(18-14-27)24(33)11-15-28-26(34)25-29-22-9-5-6-10-23(22)32(25)19-21-7-3-2-4-8-21/h2-10H,11-20H2,1H3,(H,28,34)
PubChem CID44580044
ChEMBLCHEMBL485080
IUPHARN/A
BindingDB50264713
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502912.0 nMPMID18752949BindingDB,ChEMBL

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