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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

NameCHEMBL511490
Molecular formulaC26H36N2O5S
IUPAC namebutyl N-[2-[4-(diethylcarbamoyl)phenyl]-5-(2-methylpropyl)phenyl]sulfonylcarbamate
Molecular weight488.643
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
Synonymsbutyl N-({2-[4-(diethylcarbamoyl)phenyl]-5-(2-methylpropyl)benzene}sulfonyl)carbamate
BDBM50251567
Inchi KeyZTTAJAGIRDBSCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36N2O5S/c1-6-9-16-33-26(30)27-34(31,32)24-18-20(17-19(4)5)10-15-23(24)21-11-13-22(14-12-21)25(29)28(7-2)8-3/h10-15,18-19H,6-9,16-17H2,1-5H3,(H,27,30)
PubChem CID44567849
ChEMBLCHEMBL511490
IUPHARN/A
BindingDB50251567
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki121.8 nMPMID18599297BindingDB,ChEMBL

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