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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

NameCHEMBL479367
Molecular formulaC28H32N2O6S
IUPAC namebutyl N-[2-[4-(diethylcarbamoyl)phenyl]-4-phenoxyphenyl]sulfonylcarbamate
Molecular weight524.632
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50251609
butyl N-({2-[4-(diethylcarbamoyl)phenyl]-4-phenoxybenzene}sulfonyl)carbamate
Inchi KeyZQEAVBRMRDLGRO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N2O6S/c1-4-7-19-35-28(32)29-37(33,34)26-18-17-24(36-23-11-9-8-10-12-23)20-25(26)21-13-15-22(16-14-21)27(31)30(5-2)6-3/h8-18,20H,4-7,19H2,1-3H3,(H,29,32)
PubChem CID44567884
ChEMBLCHEMBL479367
IUPHARN/A
BindingDB50251609
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 nMPMID18599297BindingDB,ChEMBL

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