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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

NameCHEMBL443154
Molecular formulaC16H16O2
IUPAC name(3-methylphenyl)methyl 3-methylbenzoate
Molecular weight240.302
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.7
Synonyms3-Methylbenzoic acid 3-methylbenzyl ester
3-Methylbenzyl 3'-methylbenzoate
Inchi KeyVGHPXBXYVQDCBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16O2/c1-12-5-3-7-14(9-12)11-18-16(17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
PubChem CID11390814
ChEMBLCHEMBL443154
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
IC5032.4 ug.mL-1PMID18672373ChEMBL

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