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GPCR

NameType-1B angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1b
SynonymAngiotensin II type-1B receptor
AT1B
AT3
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProtP29089
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL263
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL130746
Molecular formulaC28H30N8O
IUPAC name3-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-1,1-dimethylurea
Molecular weight494.603
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50043248
SCHEMBL8944707
3-{2-Butyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazol-5-yl}-1,1-dimethyl-urea
Inchi KeyBZCOMIFWYBGIRV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N8O/c1-4-5-10-26-30-24-16-15-21(29-28(37)35(2)3)17-25(24)36(26)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)27-31-33-34-32-27/h6-9,11-17H,4-5,10,18H2,1-3H3,(H,29,37)(H,31,32,33,34)
PubChem CID10345638
ChEMBLCHEMBL130746
IUPHARN/A
BindingDB50043248
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508.0 nMPMID8258826BindingDB,ChEMBL

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