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GPCR

NameType-2 angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr2
Synonymangiotensin II receptor, type 2
MRX88
Agtr2
AT2R
AT2-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length363
Amino acid sequenceMKDNFSFAATSRNITSSLPFDNLNATGTNESAFNCSHKPADKHLEAIPVLYYMIFVIGFAVNIVVVSLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYVVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALTWMGIINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRETMSCRKSSSLREMDTFVS
UniProtP35351
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL257
IUPHAR35
DrugBankN/A

Ligand

Namelosartan
Molecular formulaC22H23ClN6O
IUPAC name[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
Molecular weight422.917
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsSpectrum3_000998
Tox21_111435
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- (9CI)
Epitope ID:140137
[ Show all ]
Inchi KeyPSIFNNKUMBGKDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23ClN6O/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/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
PubChem CID3961
ChEMBLCHEMBL191
IUPHAR590, 3941
BindingDB82258
DrugBankDB00678

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID8421274ChEMBL
IC50<30000.0 nMPMID8277506, PMID8277505, PMID8246245ChEMBL
IC507400.0 nMPMID7562905ChEMBL
IC5050000.0 nMPMID7990105ChEMBL
IC5074000.0 nMPMID8064808ChEMBL
Ki<10000.0 nMPMID7891350BindingDB
Ki33.8 nMPMID7562467BindingDB
Ki45.7 nMPMID7562467BindingDB
Ki3000.0 nMPMID7562467BindingDB

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