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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

NameCHEMBL124449
Molecular formulaC27H29N5O3
IUPAC nameethyl (2Z)-2-[3-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-azaspiro[4.5]decan-1-ylidene]acetate
Molecular weight471.561
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50281519
[3-Oxo-2-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-aza-spiro[4.5]dec-(1Z)-ylidene]-acetic acid ethyl ester
Inchi KeyFHQBYLLIOWHKRH-KQWNVCNZSA-N
Inchi IDInChI=1S/C27H29N5O3/c1-2-35-25(34)16-23-27(14-6-3-7-15-27)17-24(33)32(23)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-5,8-13,16H,2-3,6-7,14-15,17-18H2,1H3,(H,28,29,30,31)/b23-16-
PubChem CID44348042
ChEMBLCHEMBL124449
IUPHARN/A
BindingDB50281519
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50140.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:2:369BindingDB,ChEMBL

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