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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

NameCHEMBL396849
Molecular formulaC24H34N2O6S2
IUPAC nameethyl N-[[4-[2-(butoxycarbonylsulfamoyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-N-methylcarbamate
Molecular weight510.664
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50221296
N-butyloxycarbonyl-3-[4-(N-(ethyloxy-carbonyl)-N-methyl-aminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyAQWQMRGDZSCLPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N2O6S2/c1-6-8-13-32-23(27)25-34(29,30)22-21(15-20(33-22)14-17(3)4)19-11-9-18(10-12-19)16-26(5)24(28)31-7-2/h9-12,15,17H,6-8,13-14,16H2,1-5H3,(H,25,27)
PubChem CID11432223
ChEMBLCHEMBL396849
IUPHARN/A
BindingDB50221296
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID17825570BindingDB,ChEMBL

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