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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

NameCHEMBL430388
Molecular formulaC29H36N2O5S2
IUPAC namebutyl N-[3-[4-[[acetyl(benzyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight556.736
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50221300
N-butyloxycarbonyl-3-[4-(N-acetyl-N-benzylaminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyFBOBDIHHQNBACE-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N2O5S2/c1-5-6-16-36-29(33)30-38(34,35)28-27(18-26(37-28)17-21(2)3)25-14-12-24(13-15-25)20-31(22(4)32)19-23-10-8-7-9-11-23/h7-15,18,21H,5-6,16-17,19-20H2,1-4H3,(H,30,33)
PubChem CID11215062
ChEMBLCHEMBL430388
IUPHARN/A
BindingDB50221300
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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