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GPCR

NameType-1 angiotensin II receptor
SpeciesCavia porcellus (Guinea pig)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADICFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCVIIWLMAGLASLPAVIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFMFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSTLSTKMSTLSYRPSDNVSSSAKKPVQCFEVE
UniProtQ9WV26
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1671613
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL89846
Molecular formulaC26H25N5O3
IUPAC name5-[(2-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)oxymethyl]-2-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid
Molecular weight455.518
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50283590
4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymethyl)-2''-(2H-tetrazol-5-yl)-biphenyl-2-carboxylic acid
Inchi KeyFCWOLXDDSTWLPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N5O3/c1-2-17-14-24(21-9-5-6-10-23(21)27-17)34-15-16-11-12-19(22(13-16)26(32)33)18-7-3-4-8-20(18)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,32,33)(H,28,29,30,31)
PubChem CID44322239
ChEMBLCHEMBL89846
IUPHARN/A
BindingDB50283590
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5027.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:21:2615BindingDB,ChEMBL

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