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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

NameCHEMBL302811
Molecular formulaC26H25N7O2
IUPAC name2-(butylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular weight467.533
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.0
Synonyms2-Butylamino-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
BDBM50044412
SCHEMBL3979120
3-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(butylamino)-3H-benzimidazole-4-carboxylic acid
Inchi KeyGRIMYPQEIIHKDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N7O2/c1-2-3-15-27-26-28-22-10-6-9-21(25(34)35)23(22)33(26)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)24-29-31-32-30-24/h4-14H,2-3,15-16H2,1H3,(H,27,28)(H,34,35)(H,29,30,31,32)
PubChem CID15654760
ChEMBLCHEMBL302811
IUPHARN/A
BindingDB50044412
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50650.0 nMPMID8340921BindingDB,ChEMBL

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