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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

NameCHEMBL247079
Molecular formulaC27H40N2O5S2
IUPAC namebutyl N-[3-[4-[2-(hexylamino)-2-oxoethyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight536.746
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.1
SynonymsBDBM50221319
N-butyloxycarbonyl-3-[4-(N-hexylcarbamoylmethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyDNLSNUBPIKUTGS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H40N2O5S2/c1-5-7-9-10-15-28-25(30)18-21-11-13-22(14-12-21)24-19-23(17-20(3)4)35-26(24)36(32,33)29-27(31)34-16-8-6-2/h11-14,19-20H,5-10,15-18H2,1-4H3,(H,28,30)(H,29,31)
PubChem CID44437996
ChEMBLCHEMBL247079
IUPHARN/A
BindingDB50221319
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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