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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

NameCHEMBL55939
Molecular formulaC27H26N6O2
IUPAC name7-methyl-2-(2-methylpropoxy)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[1,2-a]pyrimidin-4-one
Molecular weight466.545
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
Synonyms2-Isobutoxy-7-methyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pyrido[1,2-a]pyrimidin-4-one
BDBM50282301
Inchi KeyFUUQBCXGSJUNAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N6O2/c1-17(2)16-35-26-23(27(34)33-15-18(3)8-13-24(33)28-26)14-19-9-11-20(12-10-19)21-6-4-5-7-22(21)25-29-31-32-30-25/h4-13,15,17H,14,16H2,1-3H3,(H,29,30,31,32)
PubChem CID44298545
ChEMBLCHEMBL55939
IUPHARN/A
BindingDB50282301
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504000.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:183BindingDB,ChEMBL

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