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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

NameCHEMBL83182
Molecular formulaC29H29N7O3
IUPAC namemethyl 3-[[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]methyl]benzoate
Molecular weight523.597
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
Synonyms3-[[[4-[[2'-(2H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-5-butyl-3,4-dihydro-3-oxo-2H-1,2,4-triazol]-2-yl]methyl]benzoic acid methyl ester
BDBM50044542
3-{3-Butyl-5-oxo-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4,5-dihydro-[1,2,4]triazol-1-ylmethyl}-benzoic acid methyl ester
Inchi KeyAPGBIAWZEONLFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29N7O3/c1-3-4-12-26-32-36(19-21-8-7-9-23(17-21)28(37)39-2)29(38)35(26)18-20-13-15-22(16-14-20)24-10-5-6-11-25(24)27-30-33-34-31-27/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,30,31,33,34)
PubChem CID14956796
ChEMBLCHEMBL83182
IUPHARN/A
BindingDB50044542
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50110.0 nMPMID8355255, Med Chem Res, (2010) 19:4:375BindingDB,ChEMBL
logIC502.041 -Med Chem Res, (2010) 19:4:375ChEMBL

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