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GPCR

NameType-1A angiotensin II receptor
SpeciesMus musculus (Mouse)
GeneAgtr1a
SynonymAngiotensin II type-1A receptor
AT1A
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMALNSSTEDGIKRIQDDCPRAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSAAKKPASCSEVE
UniProtP29754
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5741
IUPHARN/A
DrugBankN/A

Ligand

Name(3-methylphenyl)methyl 4-nitrobenzoate
Molecular formulaC15H13NO4
IUPAC name(3-methylphenyl)methyl 4-nitrobenzoate
Molecular weight271.272
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
SynonymsCHEMBL498671
3-Methylbenzyl 4'-nitrobenzoate
ZINC5967081
AC1OTOK4
CTK8J0655
[ Show all ]
Inchi KeyNKSJKDPWIBQVNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H13NO4/c1-11-3-2-4-12(9-11)10-20-15(17)13-5-7-14(8-6-13)16(18)19/h2-9H,10H2,1H3
PubChem CID7835004
ChEMBLCHEMBL498671
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5093.3 ug.mL-1PMID18672373ChEMBL

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