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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

NameCHEMBL26875
Molecular formulaC27H19N5O2S
IUPAC name7-hydroxy-6-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,2-b]pyridin-5-one
Molecular weight477.542
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50282214
7-Hydroxy-6-phenyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4H-thieno[3,2-b]pyridin-5-one
Inchi KeyFLGYVXAXNBHIQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H19N5O2S/c33-24-23(19-6-2-1-3-7-19)27(34)32(22-14-15-35-25(22)24)16-17-10-12-18(13-11-17)20-8-4-5-9-21(20)26-28-30-31-29-26/h1-15,33H,16H2,(H,28,29,30,31)
PubChem CID54726668
ChEMBLCHEMBL26875
IUPHARN/A
BindingDB50282214
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC506000.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:127BindingDB,ChEMBL

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