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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

NameAC1OV87K
Molecular formulaC15H13NO4
IUPAC name(3-methylphenyl)methyl 2-nitrobenzoate
Molecular weight271.272
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.5
Synonyms3-Methylbenzyl 2'-nitrobenzoate
CHEMBL498499
(3-methylphenyl)methyl 2-nitrobenzoate
Inchi KeyKBDALJIVZUHRTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H13NO4/c1-11-5-4-6-12(9-11)10-20-15(17)13-7-2-3-8-14(13)16(18)19/h2-9H,10H2,1H3
PubChem CID7864664
ChEMBLCHEMBL498499
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
IC5011.2 ug.mL-1PMID18672373ChEMBL

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