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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

NameCHEMBL49262
Molecular formulaC25H27N5O3
IUPAC nameethyl (2E)-2-[4,4-dimethyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]piperidin-2-ylidene]acetate
Molecular weight445.523
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50280324
[4,4-Dimethyl-6-oxo-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-piperidin-(2E)-ylidene]-acetic acid ethyl ester
Inchi KeyCGVJXFIUZVKUIC-CPNJWEJPSA-N
Inchi IDInChI=1S/C25H27N5O3/c1-4-33-23(32)13-19-14-25(2,3)15-22(31)30(19)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)24-26-28-29-27-24/h5-13H,4,14-16H2,1-3H3,(H,26,27,28,29)/b19-13+
PubChem CID44295010
ChEMBLCHEMBL49262
IUPHARN/A
BindingDB50280324
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505800.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:12:1775BindingDB,ChEMBL

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