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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

NameCHEMBL246460
Molecular formulaC22H30N2O5S2
IUPAC namebutyl N-[3-[4-[[formyl(methyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight466.611
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50221326
N-butyloxycarbonyl-3-[4-(N-formyl-N-methylaminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyCQMJLKWORTZFPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O5S2/c1-5-6-11-29-22(26)23-31(27,28)21-20(13-19(30-21)12-16(2)3)18-9-7-17(8-10-18)14-24(4)15-25/h7-10,13,15-16H,5-6,11-12,14H2,1-4H3,(H,23,26)
PubChem CID11408701
ChEMBLCHEMBL246460
IUPHARN/A
BindingDB50221326
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID17825570BindingDB,ChEMBL

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