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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

NameCHEMBL123348
Molecular formulaC25H27N5O3
IUPAC nameethyl (2Z)-2-[3-ethyl-3-methyl-5-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-2-ylidene]acetate
Molecular weight445.523
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50281520
[3-Ethyl-3-methyl-5-oxo-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pyrrolidin-(2Z)-ylidene]-acetic acid ethyl ester
Inchi KeyGOVCKLDFCNZSSA-STZFKDTASA-N
Inchi IDInChI=1S/C25H27N5O3/c1-4-25(3)15-22(31)30(21(25)14-23(32)33-5-2)16-17-10-12-18(13-11-17)19-8-6-7-9-20(19)24-26-28-29-27-24/h6-14H,4-5,15-16H2,1-3H3,(H,26,27,28,29)/b21-14-
PubChem CID44348323
ChEMBLCHEMBL123348
IUPHARN/A
BindingDB50281520
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5060.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:2:369BindingDB,ChEMBL

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