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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

NameCHEMBL481106
Molecular formulaC24H32N2O6S2
IUPAC namebutyl N-[5-(2-methylpropyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]sulfonylcarbamate
Molecular weight508.648
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
Synonymsbutyl 5-isobutyl-3-(4-(morpholine-4-carbonyl)phenyl)thiophen-2-ylsulfonylcarbamate
BDBM50251538
Inchi KeyCJPBBWUYRIIFRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N2O6S2/c1-4-5-12-32-24(28)25-34(29,30)23-21(16-20(33-23)15-17(2)3)18-6-8-19(9-7-18)22(27)26-10-13-31-14-11-26/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,28)
PubChem CID44567818
ChEMBLCHEMBL481106
IUPHARN/A
BindingDB50251538
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki348.0 nMPMID18599297BindingDB,ChEMBL

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