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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

NameCHEMBL300186
Molecular formulaC22H20N2O6
IUPAC name1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propylimidazole-4,5-dicarboxylic acid
Molecular weight408.41
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
Synonyms1-(2''-Carboxy-biphenyl-4-ylmethyl)-2-propyl-1H-imidazole-4,5-dicarboxylic acid
BDBM50049119
1-[(2'-Carboxy-1,1'-biphenyl-4-yl)methyl]-2-propyl-1H-imidazole-4,5-dicarboxylic acid
Inchi KeyHFTHXQBUJNFWTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N2O6/c1-2-5-17-23-18(21(27)28)19(22(29)30)24(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20(25)26/h3-4,6-11H,2,5,12H2,1H3,(H,25,26)(H,27,28)(H,29,30)
PubChem CID10525501
ChEMBLCHEMBL300186
IUPHARN/A
BindingDB50049119
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50320.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:177, PMID8568823BindingDB,ChEMBL

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