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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

NameCHEMBL314799
Molecular formulaC23H25N7O
IUPAC name2-butyl-5-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight415.501
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
Synonyms2-Butyl-5-[2''-(2H-tetrazol-5-yl)-biphenyl-4-yl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
BDBM50283558
Inchi KeyCAYZWFPFTMLBBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25N7O/c1-2-3-15-29-23(31)30-20(9-6-10-21(30)26-29)17-13-11-16(12-14-17)18-7-4-5-8-19(18)22-24-27-28-25-22/h4-5,7-8,11-14,20H,2-3,6,9-10,15H2,1H3,(H,24,25,27,28)
PubChem CID44320916
ChEMBLCHEMBL314799
IUPHARN/A
BindingDB50283558
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:21:2591BindingDB,ChEMBL

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