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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

NameCHEMBL246877
Molecular formulaC28H34N2O5S2
IUPAC namebutyl N-[3-[4-[2-(4-methylanilino)-2-oxoethyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight542.709
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.7
SynonymsN-butyloxycarbonyl-3-{4-[N-(4-methylphenyl)-carbamoylmethyl]phenyl}-5-iso-butylthiophene-2-sulfonamide
BDBM50221299
Inchi KeyDUNOFMOQVKNEML-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N2O5S2/c1-5-6-15-35-28(32)30-37(33,34)27-25(18-24(36-27)16-19(2)3)22-11-9-21(10-12-22)17-26(31)29-23-13-7-20(4)8-14-23/h7-14,18-19H,5-6,15-17H2,1-4H3,(H,29,31)(H,30,32)
PubChem CID44437995
ChEMBLCHEMBL246877
IUPHARN/A
BindingDB50221299
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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