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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

NameCHEMBL51689
Molecular formulaC25H22N6O2
IUPAC name2-propoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[1,2-a]pyrimidin-4-one
Molecular weight438.491
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50282303
2-Propoxy-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pyrido[1,2-a]pyrimidin-4-one
Inchi KeyBINGVFULRMHNBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N6O2/c1-2-15-33-24-21(25(32)31-14-6-5-9-22(31)26-24)16-17-10-12-18(13-11-17)19-7-3-4-8-20(19)23-27-29-30-28-23/h3-14H,2,15-16H2,1H3,(H,27,28,29,30)
PubChem CID44298759
ChEMBLCHEMBL51689
IUPHARN/A
BindingDB50282303
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50250.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:183BindingDB,ChEMBL

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