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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

NameCHEMBL246255
Molecular formulaC23H32N2O5S2
IUPAC namebutyl N-[3-[4-[[acetyl(methyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight480.638
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50221309
butyl 5-isobutyl-3-(4-((N-methylacetamido)methyl)phenyl)thiophen-2-ylsulfonylcarbamate
N-butyloxycarbonyl-3-[4-(N-acetyl-N-methylaminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyJXXNMAIVGNIWSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32N2O5S2/c1-6-7-12-30-23(27)24-32(28,29)22-21(14-20(31-22)13-16(2)3)19-10-8-18(9-11-19)15-25(5)17(4)26/h8-11,14,16H,6-7,12-13,15H2,1-5H3,(H,24,27)
PubChem CID11488492
ChEMBLCHEMBL246255
IUPHARN/A
BindingDB50221309
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID18599297, PMID17825570BindingDB,ChEMBL

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