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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

NameCHEMBL298836
Molecular formulaC26H24N6O2
IUPAC name8-methyl-2-propoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[1,2-a]pyrimidin-4-one
Molecular weight452.518
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
Synonyms8-Methyl-2-propoxy-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pyrido[1,2-a]pyrimidin-4-one
BDBM50282297
Inchi KeyCVJJMUKWKGZPQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24N6O2/c1-3-14-34-25-22(26(33)32-13-12-17(2)15-23(32)27-25)16-18-8-10-19(11-9-18)20-6-4-5-7-21(20)24-28-30-31-29-24/h4-13,15H,3,14,16H2,1-2H3,(H,28,29,30,31)
PubChem CID44298869
ChEMBLCHEMBL298836
IUPHARN/A
BindingDB50282297
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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