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GPCR

NameType-1A angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1
SynonymAngiotensin II type-1A receptor
AT1A
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
UniProtP25095
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL329
IUPHAR34
DrugBankN/A

Ligand

NameCHEMBL261765
Molecular formulaC25H25N7O
IUPAC name2-(3-methylbutyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
Molecular weight439.523
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50376927
Inchi KeyLSBPDXVQAPQQIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N7O/c1-17(2)13-15-31-25(33)22-8-5-14-26-24(22)32(31)16-18-9-11-19(12-10-18)20-6-3-4-7-21(20)23-27-29-30-28-23/h3-12,14,17H,13,15-16H2,1-2H3,(H,27,28,29,30)
PubChem CID24827771
ChEMBLCHEMBL261765
IUPHARN/A
BindingDB50376927
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50124.0 nMPMID18318468BindingDB,ChEMBL

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