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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

NameCHEMBL69236
Molecular formulaC25H22N6O2S
IUPAC name2-(ethylsulfanylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular weight470.551
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
Synonyms2-Ethylsulfanylmethyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
BDBM50044409
SCHEMBL9194609
3-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(ethylthiomethyl)-3H-benzimidazole-4-carboxylic acid
Inchi KeyGMADPUHQLYODDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N6O2S/c1-2-34-15-22-26-21-9-5-8-20(25(32)33)23(21)31(22)14-16-10-12-17(13-11-16)18-6-3-4-7-19(18)24-27-29-30-28-24/h3-13H,2,14-15H2,1H3,(H,32,33)(H,27,28,29,30)
PubChem CID15654751
ChEMBLCHEMBL69236
IUPHARN/A
BindingDB50044409
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50300.0 nMPMID8340921BindingDB,ChEMBL

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