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GPCR

NameType-1 angiotensin II receptor
SpeciesSus scrofa (Pig)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDSIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKIADIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSENGSSSTKKSAPCTEVE
UniProtP30555
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5743
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL480340
Molecular formulaC28H34N2O5S2
IUPAC namebutyl N-[3-[4-[benzyl(methyl)carbamoyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight542.709
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.5
Synonymsbutyl 3-(4-(benzyl(methyl)carbamoyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate
BDBM50251515
Inchi KeyJDGFJUYAUVWFQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N2O5S2/c1-5-6-16-35-28(32)29-37(33,34)27-25(18-24(36-27)17-20(2)3)22-12-14-23(15-13-22)26(31)30(4)19-21-10-8-7-9-11-21/h7-15,18,20H,5-6,16-17,19H2,1-4H3,(H,29,32)
PubChem CID44567781
ChEMBLCHEMBL480340
IUPHARN/A
BindingDB50251515
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
Ki31.5 nMPMID18599297BindingDB,ChEMBL

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