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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

NameCHEMBL246253
Molecular formulaC27H34N2O5S3
IUPAC namebutyl N-[3-[4-[[ethyl(thiophene-2-carbonyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight562.758
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.9
SynonymsBDBM50221321
N-butyloxycarbonyl-3-[4-(N-ethyl-thiophenecarboylaminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyBLVLNEMYTJXQLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N2O5S3/c1-5-7-14-34-27(31)28-37(32,33)26-23(17-22(36-26)16-19(3)4)21-12-10-20(11-13-21)18-29(6-2)25(30)24-9-8-15-35-24/h8-13,15,17,19H,5-7,14,16,18H2,1-4H3,(H,28,31)
PubChem CID11157282
ChEMBLCHEMBL246253
IUPHARN/A
BindingDB50221321
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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