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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

NameCHEMBL245840
Molecular formulaC32H42N2O5S2
IUPAC namebutyl N-[3-[4-[[benzyl(pentanoyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight598.817
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.7
SynonymsBDBM50221317
N-butyloxycarbonyl-3-[4-(N-benzyl-pentylamidomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyDCDHFBFRPGCTTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H42N2O5S2/c1-5-7-14-30(35)34(22-25-12-10-9-11-13-25)23-26-15-17-27(18-16-26)29-21-28(20-24(3)4)40-31(29)41(37,38)33-32(36)39-19-8-6-2/h9-13,15-18,21,24H,5-8,14,19-20,22-23H2,1-4H3,(H,33,36)
PubChem CID11444777
ChEMBLCHEMBL245840
IUPHARN/A
BindingDB50221317
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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