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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL156307
Molecular formulaC21H23N7O2S
IUPAC name5-[2-[4-[(3-butyl-5-methylsulfonyl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]-2H-tetrazole
Molecular weight437.522
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50047877
SCHEMBL9402265
3-n-Butyl-5-methylsulfonyl-4-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-4H-1,2,4-triazole
AAXLFCQNXVFETP-UHFFFAOYSA-N
5-[4''-(3-Butyl-5-methanesulfonyl-[1,2,4]triazol-4-ylmethyl)-biphenyl-2-yl]-1H-tetrazole
Inchi KeyAAXLFCQNXVFETP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N7O2S/c1-3-4-9-19-22-25-21(31(2,29)30)28(19)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)20-23-26-27-24-20/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,24,26,27)
PubChem CID10094614
ChEMBLCHEMBL156307
IUPHARN/A
BindingDB50047877
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50400.0 nMPMID8496939BindingDB,ChEMBL

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