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GPCR

NameType-1 angiotensin II receptor
SpeciesBos taurus (Bovine)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProtP25104
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3374
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL326086
Molecular formulaC22H22N6O3
IUPAC name5-(hydroxymethyl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight418.457
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50049127
SCHEMBL7304283
5-Hydroxymethyl-2-propyl-1-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-imidazole-4-carboxylic acid
Inchi KeyBIROPJKYXVYIEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N6O3/c1-2-5-19-23-20(22(30)31)18(13-29)28(19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-24-26-27-25-21/h3-4,6-11,29H,2,5,12-13H2,1H3,(H,30,31)(H,24,25,26,27)
PubChem CID10621927
ChEMBLCHEMBL326086
IUPHARN/A
BindingDB50049127
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504600.0 nMPMID8568823BindingDB,ChEMBL

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