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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

NameCHEMBL480341
Molecular formulaC23H27N3O5S3
IUPAC namebutyl N-[5-(2-methylpropyl)-3-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]thiophen-2-yl]sulfonylcarbamate
Molecular weight521.665
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.8
Synonymsbutyl 5-isobutyl-3-(4-(thiazol-2-ylcarbamoyl)phenyl)thiophen-2-ylsulfonylcarbamate
BDBM50251516
Inchi KeyFZUTXAXDNREPQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O5S3/c1-4-5-11-31-23(28)26-34(29,30)21-19(14-18(33-21)13-15(2)3)16-6-8-17(9-7-16)20(27)25-22-24-10-12-32-22/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,26,28)(H,24,25,27)
PubChem CID44567782
ChEMBLCHEMBL480341
IUPHARN/A
BindingDB50251516
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 nMPMID18599297BindingDB,ChEMBL

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