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GPCR

NameType-1A angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1
SynonymAngiotensin II type-1A receptor
AT1A
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
UniProtP25095
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL329
IUPHAR34
DrugBankN/A

Ligand

NameCHEMBL567898
Molecular formulaC30H32N8O
IUPAC name4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[2-[4-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]ethyl]benzimidazole
Molecular weight520.641
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50303976
3''-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)-1,7''-dimethyl-2''-propyl-1H,3''H-2,5''-bibenzo[d]imidazole
Inchi KeyGETOWFJENOAKTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)
PubChem CID45488167
ChEMBLCHEMBL567898
IUPHARN/A
BindingDB50303976
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1618.0 nMPMID20073471BindingDB,ChEMBL

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