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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

NameCHEMBL129447
Molecular formulaC26H25N7O2
IUPAC name2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid
Molecular weight467.533
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50282377
L007774
2-Butyl-7-methyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazo[4,5-c]pyridine-4-carboxylic acid
SCHEMBL7006585
Inchi KeyGCEPCIJDUCGARX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N7O2/c1-3-4-9-21-28-22-16(2)14-27-23(26(34)35)24(22)33(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25-29-31-32-30-25/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,34,35)(H,29,30,31,32)
PubChem CID15224461
ChEMBLCHEMBL129447
IUPHARN/A
BindingDB50282377
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5036.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:35BindingDB,ChEMBL

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