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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

NameBDBM50009714
Molecular formulaC22H25ClN6O
IUPAC name[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydroimidazol-4-yl]methanol
Molecular weight424.933
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
Synonyms{2-Butyl-5-chloro-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4,5-dihydro-3H-imidazol-4-yl}-methanol(DuP 753)
Inchi KeyJGABCUJSSAEYFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
PubChem CID44330456
ChEMBLN/A
IUPHARN/A
BindingDB50009714
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50350.0 nMN/ABindingDB
IC50120.0 nM, PMID17412584, PMID8568823BindingDB
IC50150.0 nMN/ABindingDB
IC50160.0 nMPMID18976926, BindingDB
IC50300.0 nMN/ABindingDB
IC50330.0 nMN/ABindingDB
IC50420.0 nMN/ABindingDB
IC50425.0 nMN/ABindingDB
IC50330000.0 nMN/ABindingDB

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